SCHEMBL452802

SCHEMBL452802

c1cc2ccc3n[nH]cc3c2cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.45
DYRK1A Q13627 2/20 0.40
CLK1 P49759 1/20 0.40
HIPK2 Q9H2X6 1/20 0.38
TNF P01375 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
RAD52 P43351 1/20 0.37
PIM1 P11309 2/20 0.37
HASPIN Q8TF76 2/20 0.37
MAOA P21397 2/20 0.35
CDK9 P50750 2/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29416237 0.85 IMPDH2 (0.42) DYRK1AKDM4EHTTPIM1HASPIN
SCHEMBL19469855 0.85 IMPDH2 (0.42) DYRK1AKDM4EHTTPIM1HASPIN
SCHEMBL672509 0.78 CLK1 (0.54) MAPK10DYRK1ACLK1HIPK2TNF
SCHEMBL29569821 0.78 CLK1 (0.54) MAPK10DYRK1ACLK1HIPK2TNF
SCHEMBL492397 0.75
Hydrochloric Acid SCHEMBL3810977 0.74 PIM1 (0.36) POLBPIM1HASPINMAOACDK9
SCHEMBL8763443 0.74 ALDH1A1 (0.52) KDM4EMAOA
SCHEMBL28675683 0.74
SCHEMBL381051 0.73
P-Xylene SCHEMBL1420125 0.73 ACHE (0.46) MAPK10DYRK1ACLK1HIPK2TNF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 158 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355221-A1 Targeting the Non-Canonical NFkB Pathway in Cancer Immunotherapy THE GENERAL HOSPITAL CORPORATION 2021-11-18 US claimed
WO-2020082016-A1 TARGETING THE NON-CANONICAL NFKB PATHWAY IN CANCER IMMUNOTHERAPY THE GENERAL HOSPITAL CORPORATION (US) 2020-04-23 WO claimed
EP-3431493-A1 COMPOSITIONS AND METHODS FOR INDUCING SENESCENCE IN CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-01-23 EP claimed
US-20180251763-A1 Compositions and Methods for Inducing Senescence in Cancer Cells Université Côte d'Azur (FR) 2018-09-06 US claimed
EP-2336315-B1 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION AS (DK) 2017-07-19 EP claimed
US-20160208249-A1 Compositions and Methods for Inducing Senescence in Cancer Cells CENTRE HOPITALIER UNIVERSITAIRE DE NICE (FR) 2016-07-21 US claimed
EP-3041859-A2 COMPOSITIONS AND METHODS FOR INDUCING SENESCENCE IN CANCER CELLS INSERM - Institut National de la Santé et de la Recherche Médicale (FR) 2016-07-13 EP claimed
WO-2015032800-A2 COMPOSITIONS AND METHODS FOR INDUCING SENESCENCE IN CANCER CELLS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2015-03-12 WO claimed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP claimed
EP-0215445-B1 PYRAZOLOISOQUINOLINE DERIVATIVES, A PROCESS FOR PREPARATION THEREOF AND A PLANT GROWTH REGULATING COMPOSITION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP claimed
US-4751226-A Pyrazoloisoquinoline derivatives, plant growth regulating compositions, and method of use therefor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-14 US claimed
EP-0215445-A2 Pyrazoloisoquinoline derivatives, a process for preparation thereof and a plant growth regulating composition FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-03-25 EP claimed
JP-62149676-A None JP disclosed
US-20240415801-A1 Methods and Compositions for Treating Fibroids LUNDQUIST INSTITUTE FOR BIOMEDICAL INNOVATION AT HARBOR-UCLA MEDICAL CENTER 2024-12-19 US disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
JP-S62149676-A PYRAZOLOISOQUINOLINE DERIVATIVE, PRODUCTION THEREOF AND AGRICULTURAL CHEMICAL FUJISAWA PHARMACEUT CO LTD 1987-07-03 JP disclosed
EP-0215445-A2 Pyrazoloisoquinoline derivatives, a process for preparation thereof and a plant growth regulating composition FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-03-25 EP disclosed
EP-0215445-A2 Pyrazoloisoquinoline derivatives, a process for preparation thereof and a plant growth regulating composition FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-03-25 EP disclosed
EP-0215445-A2 Pyrazoloisoquinoline derivatives, a process for preparation thereof and a plant growth regulating composition FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-03-25 EP disclosed