SCHEMBL2760593

SCHEMBL2760593

CCC(Cc1cc(-c2cc3nccnc3[nH]2)ccc1N(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 18/20 0.50
CDK1 P06493 18/20 0.50
CCNB1 P14635 18/20 0.50
CCNB3 Q8WWL7 18/20 0.50
GSK3B P49841 16/20 0.50
GSK3A P49840 13/20 0.50
CDK5 Q00535 11/20 0.44
CDK5R1 Q15078 11/20 0.44
CHUK O15111 2/20 0.34
INSR P06213 2/20 0.34
MAPK8 P45983 2/20 0.34
CAMKK2 Q96RR4 2/20 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
SCHEMBL1779800 0.83 CCNB2 (0.52) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL27613634 0.81 CCNB2 (0.50) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL2760594 0.79 CCNB2 (0.48) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1777955 0.78 CCNB2 (0.54) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL27843742 0.68 PPARG (0.47)
SCHEMBL27615789 0.68 CCNB2 (0.60) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1777165 0.65 CCNB2 (0.56) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491112 0.63 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL29912855 0.63 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL490933 0.63 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed