SCHEMBL7623938

SCHEMBL7623938

Clc1ccc2[nH]cc(-c3ccnc(Nc4ccccc4)n3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 5/20 0.63
CDK1 P06493 5/20 0.63
CCNB1 P14635 5/20 0.63
CCNB3 Q8WWL7 5/20 0.63
MAP3K14 Q99558 1/20 0.61
RET P07949 3/20 0.57
EIF2AK2 P19525 4/20 0.53
PLK1 P53350 1/20 0.53
FLT3 P36888 3/20 0.53
MKNK1 Q9BUB5 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
ABL1 P00519 1/20 0.52
EGFR P00533 1/20 0.52
BCR P11274 1/20 0.52
SRC P12931 1/20 0.52
PRKCA P17252 1/20 0.52
PRKACA P17612 1/20 0.52
PRKACG P22612 1/20 0.52
PRKACB P22694 1/20 0.52
PRKCD Q05655 1/20 0.52

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
SCHEMBL6259670 0.91 CCNB2 (0.63) CCNB2CDK1CCNB1CCNB3MAP3K14
SCHEMBL6254567 0.86 MAP3K14 (0.59) CCNB2CDK1CCNB1CCNB3MAP3K14
SCHEMBL6260797 0.86 CCNB2 (0.63) CCNB2CDK1CCNB1CCNB3MAP3K14
SCHEMBL31588329 0.85 CCNB2 (0.76) CCNB2CDK1CCNB1CCNB3MAP3K14
SCHEMBL144954 0.85 CCNB2 (0.76) CCNB2CDK1CCNB1CCNB3MAP3K14
SCHEMBL7626134 0.83 FLT3 (0.67) CCNB2CDK1CCNB1CCNB3MAP3K14
SCHEMBL1586801 0.82 CCNB2 (0.67) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL12723013 0.81 ABL1 (0.58) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL7662847 0.81 CCNB2 (0.60) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL12723149 0.80 CCNB2 (0.52) CCNB2CDK1CCNB1CCNB3MAP3K14

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
WO-2002102783-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-12-27 WO claimed