SCHEMBL13745140

SCHEMBL13745140

COc1ccc(CNc2cc(NC3CCC(N)CC3)nn3c(C(=O)Nc4ccncc4F)cnc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 5/20 0.42
▸ CDK2 P24941 5/20 0.42
▸ FLT3 P36888 5/20 0.42
▸ TYK2 P29597 6/20 0.41
▸ HDAC1 Q13547 2/20 0.38
▸ TTK P33981 1/20 0.38
▸ VNN1 O95497 1/20 0.37
▸ CCNT1 O60563 2/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ PRKCQ Q04759 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3667229 0.90 CCNE1 (0.46) CCNE1CDK2FLT3TYK2HDAC1
SCHEMBL3667232 0.90 CCNE1 (0.46) CCNE1CDK2FLT3TYK2HDAC1
SCHEMBL3722139 0.88 CCNE1 (0.43) CCNE1CDK2FLT3TYK2PRKCA
SCHEMBL3720234 0.87 TYK2 (0.46) CCNE1CDK2FLT3TYK2TTK
SCHEMBL3720223 0.87 TYK2 (0.46) CCNE1CDK2FLT3TYK2TTK
SCHEMBL3721600 0.86 CCNE1 (0.38) CCNE1CDK2FLT3TYK2HDAC1
SCHEMBL3720201 0.86 CCNE1 (0.38) CCNE1CDK2FLT3TYK2HDAC1
SCHEMBL3775476 0.86 TYK2 (0.55) CCNE1CDK2FLT3TYK2
SCHEMBL3769510 0.86 TYK2 (0.55) CCNE1CDK2FLT3TYK2
SCHEMBL3769496 0.86 TYK2 (0.55) CCNE1CDK2FLT3TYK2

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-2009100375-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 — — WO disclosed
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