SCHEMBL5153188

SCHEMBL5153188

CN(C)CCNC(=O)c1ccc(-c2cnccc2Oc2ccc(N(C(=O)c3ccc[nH]c3=O)c3ccc(F)cc3)cc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.45
▸ MET P08581 8/20 0.42
▸ MAPK14 Q16539 1/20 0.38
▸ CDC7 O00311 1/20 0.37
▸ CDK19 Q9BWU1 1/20 0.37
▸ CCNT1 O60563 3/20 0.37
▸ CDK2 P24941 3/20 0.37
▸ CDK9 P50750 3/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CCNA1 P78396 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ CCNE1 P24864 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ FYN P06241 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
SCHEMBL5154071 0.78 MET (0.41) MET
SCHEMBL5150778 0.78 MET (0.39) BRD4MET
SCHEMBL5150627 0.76 MET (0.39) MET
SCHEMBL1137232 0.76 MET (0.60) MET
SCHEMBL5157646 0.72 MET (0.37) MET
SCHEMBL5186596 0.70 MET (0.53) MET
SCHEMBL15542224 0.69 MET (0.39) MET
SCHEMBL2588943 0.69 MET (0.36) MET
SCHEMBL5305342 0.69 MET (0.48) MET
SCHEMBL3101351 0.68 MAPK1 (0.38) BRD4METCDC7CDK19CCNT1

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
EP-1737451-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-03 — — EP disclosed
WO-2005117867-A2 MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 — — WO disclosed
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