SCHEMBL13745301

SCHEMBL13745301

COc1ccc(CNc2cc(NC3CCC(N)CC3)nn3c(C(=O)Nc4ccnc(Cl)c4)cnc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 9/20 0.44
▸ CDK2 P24941 9/20 0.44
▸ FLT3 P36888 9/20 0.44
▸ TYK2 P29597 6/20 0.41
▸ CCNT1 O60563 3/20 0.40
▸ TTK P33981 1/20 0.38
▸ PI4KA P42356 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ PDE4D Q08499 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
SCHEMBL3667232 0.91 CCNE1 (0.46) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL3667229 0.91 CCNE1 (0.46) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL3723112 0.86 TYK2 (0.55) CCNE1CDK2FLT3TYK2PDE4D
SCHEMBL13013374 0.86 TYK2 (0.55) CCNE1CDK2FLT3TYK2PDE4D
SCHEMBL3723108 0.86 TYK2 (0.55) CCNE1CDK2FLT3TYK2PDE4D
SCHEMBL3722488 0.85 CCNE1 (0.38) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL3722490 0.85 CCNE1 (0.38) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL13745140 0.84 CCNE1 (0.42) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL3776711 0.81 TYK2 (0.49) CCNE1CDK2FLT3TYK2CCNT1
SCHEMBL3776707 0.81 TYK2 (0.49) CCNE1CDK2FLT3TYK2CCNT1

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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