SCHEMBL27613634

SCHEMBL27613634

CN(C)c1ccc(-c2cc3nccnc3[nH]2)cc1CCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 17/20 0.50
CDK1 P06493 17/20 0.50
CCNB1 P14635 17/20 0.50
CCNB3 Q8WWL7 17/20 0.50
GSK3B P49841 15/20 0.50
GSK3A P49840 13/20 0.50
CDK5 Q00535 10/20 0.44
CDK5R1 Q15078 10/20 0.44
CSF1R P07333 1/20 0.40
PDE2A O00408 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
HDAC1 Q13547 1/20 0.35

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
SCHEMBL1779800 0.94 CCNB2 (0.52) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1777955 0.87 CCNB2 (0.54) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1778264 0.82 CCNB2 (0.47) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1777165 0.67 CCNB2 (0.56) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL27615789 0.66 CCNB2 (0.60) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1778829 0.63 CCNB2 (0.69) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL7403498 0.61 CYP4F2 (0.43)
SCHEMBL1779137 0.61 CDK1 (0.68) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491029 0.61 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1780235 0.60 CCNB2 (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100379734-C Azaindoles AVENTIS PHARMA LTD (GB) 2008-04-09 CN disclosed
CN-1615873-A Azaindoles compound AVENTIS PHARMA LTD (GB) 2005-05-18 CN disclosed