SCHEMBL17631727

SCHEMBL17631727

Cc1cccc2sc(N(C#N)C(=O)[C@H]3CCNC3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.44
▸ TP53 P04637 3/20 0.44
▸ RAB9A P51151 3/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL17632555 0.88 CHRNA1 (0.34) MAPTTP53RAB9ALMNANPC1
SCHEMBL17632164 0.84 IKBKB (0.33) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL17632621 0.83 ALDH1A1 (0.47) MAPTTP53RAB9ALMNANPC1
SCHEMBL17632035 0.83 ABL1 (0.45) —
SCHEMBL17632490 0.81 MAPT (0.43) MAPTTP53RAB9ALMNANPC1
SCHEMBL17632611 0.76 RAB9A (0.37) MAPTRAB9ALMNANPC1KMT2A
SCHEMBL17632007 0.76 LIPG (0.41) LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL17632020 0.76 MAPT (0.46) MAPTTP53RAB9ALMNANPC1
SCHEMBL17631984 0.76 DYRK1A (0.33) MAPTTP53RAB9ANPC1ALDH1A1
SCHEMBL17632567 0.75 BRD4 (0.47) LMNAALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP claimed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO claimed
EP-4377299-A1 SMALL MOLECULE INHIBITION OF DEUBIQUITINATING ENZYME JOSEPHIN DOMAIN CONTAINING 1 (JOSD1) AS A TARGETED THERAPY FOR LEUKEMIAS WITH MUTANT JANUS KINASE 2 (JAK2) Dana-Farber Cancer Institute, Inc. (US) 2024-06-05 — — EP disclosed
WO-2023009982-A1 SMALL MOLECULE INHIBITION OF DEUBIQUITINATING ENZYME JOSEPHIN DOMAIN CONTAINING 1 (JOSD1) AS A TARGETED THERAPY FOR LEUKEMIAS WITH MUTANT JANUS KINASE 2 (JAK2) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-02-02 — — WO disclosed
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO disclosed
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