SCHEMBL3649878

SCHEMBL3649878

NC(=O)c1ccccc1C1CCCNC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.57
IKBKB O14920 1/20 0.57
CHUK O15111 1/20 0.57
BTK Q06187 1/20 0.57
PARP1 P09874 9/20 0.56
PARP2 Q9UGN5 4/20 0.51
PARP3 Q9Y6F1 3/20 0.50
DYRK1A Q13627 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KCNH2 Q12809 2/20 0.50
TNKS O95271 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA1A P35348 1/20 0.50
PARP15 Q460N3 1/20 0.50
PARP14 Q460N5 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP12 Q9H0J9 1/20 0.50

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
SCHEMBL31227274 1.00 CSF1R (0.57) CSF1RIKBKBCHUKBTKPARP1
SCHEMBL31227227 1.00 CSF1R (0.57) CSF1RIKBKBCHUKBTKPARP1
Hydrochloric Acid SCHEMBL16445630 0.98 CSF1R (0.56) CSF1RIKBKBCHUKBTKPARP1
SCHEMBL27775206 0.95 CSF1R (0.53) CSF1RIKBKBCHUKBTKPARP1
Formic Acid SCHEMBL31227809 0.94 CSF1R (0.53) CSF1RIKBKBCHUKBTKPARP1
SCHEMBL5330092 0.91 PARP1 (0.54) CSF1RIKBKBCHUKBTKPARP1
SCHEMBL5968190 0.91 PARP1 (0.54) CSF1RIKBKBCHUKBTKPARP1
SCHEMBL14869717 0.91 PARP1 (0.54) CSF1RIKBKBCHUKBTKPARP1
Hydrochloric Acid SCHEMBL3669412 0.89 PARP1 (0.53) CSF1RIKBKBCHUKBTKPARP1
Hydrochloric Acid SCHEMBL28155968 0.89 PARP1 (0.53) CSF1RIKBKBCHUKBTKPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205241-A1 POLO-LIKE KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-07-14 EP claimed
WO-2009042711-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO claimed
EP-1901747-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN Ingenium Pharmaceuticals AG (DE) 2008-03-26 EP claimed
WO-2006125616-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS AG (DE) 2006-11-30 WO claimed
EP-1678147-A1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES GPC Biotech AG (DE) 2006-07-12 EP claimed
WO-2005026129-A1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES GPC BIOTECH AG (DE) 2005-03-24 WO claimed
WO-2024226875-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR ATTENUATION OF MAMMALIAN TRANSLATION OF C-MYC OR N-MYC PROTEINS OF THE MYC PROTO-ONCOGENE FAMILY OF BHLH TRANSCRIPTION FACTORS INITIAL THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed
CN-113336697-B CDK9 inhibition compound and application thereof 厦门大学 2024-04-05 CN disclosed
EP-4263501-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-10-25 EP disclosed
WO-2022133040-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORPORATION (US) 2022-06-23 WO disclosed
CN-101842369-B 2, 3-dihydrobenzo [1,4] dioxin-2-ylmethyl derivatives as alpha 2C antagonists for the treatment of peripheral and central nervous system disorders ORION CORP 2014-01-22 CN disclosed
CN-101842369-A 2, 3-dihydrobenzo [1, 4] dioxin-2-ylmethyl derivatives as alpha 2C antagonists for the treatment of peripheral and central nervous system disorders ORION CORP 2010-09-22 CN disclosed
EP-2205241-A1 POLO-LIKE KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-07-14 EP disclosed
WO-2009042711-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP disclosed
WO-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO disclosed