SCHEMBL6851117

SCHEMBL6851117

CCCOc1ccc(-c2cc3nccnc3[nH]2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 18/20 0.69
CDK1 P06493 18/20 0.69
CCNB1 P14635 18/20 0.69
CCNB3 Q8WWL7 18/20 0.69
GSK3B P49841 15/20 0.69
GSK3A P49840 13/20 0.69
CDK5 Q00535 10/20 0.69
CDK5R1 Q15078 10/20 0.69
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GPR84 Q9NQS5 1/20 0.47
RIPK1 Q13546 1/20 0.45

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
SCHEMBL490667 0.82 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1778471 0.78 CCNB2 (0.71) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491112 0.77 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1779559 0.75 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL29913067 0.73 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491029 0.73 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL27615789 0.73 CCNB2 (0.60) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL490933 0.73 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1780235 0.73 CCNB2 (0.73) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL29912855 0.73 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP claimed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO claimed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO disclosed
WO-2003000690-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS EMPLOYING MICROWAVE TECHNOLOGY AVENTIS PHARMACEUTICALS INC. (US) 2003-01-03 WO disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 WO disclosed