SCHEMBL3421110

SCHEMBL3421110

Cc1nc(-c2cccc(C3(F)C=CC(F)=CC3C(N)=O)c2)c(-c2ccnc(Cl)n2)s1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.34
BRAF P15056 3/20 0.33
CDK4 P11802 2/20 0.32
CDK2 P24941 2/20 0.32
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 2/20 0.31
TGFBR1 P36897 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL3434366 0.88
SCHEMBL5226655 0.79 SLC2A1 (0.40) MAPK14
SCHEMBL3434765 0.73 ALDH1A2 (0.32) BRAF
SCHEMBL3421116 0.72 MAPK14 (0.37) MAPK14BRAFCDK4CDK2
SCHEMBL1642029 0.72 CDK2 (0.48) MAPK14BRAFCDK4CDK2TGFBR1
SCHEMBL3422428 0.71 MAPK14 (0.48) MAPK14CDK4CDK2
SCHEMBL1641904 0.70 BRAF (0.51) MAPK14BRAFCDK4CDK2
SCHEMBL30410597 0.68 PTGS2 (0.51) CDK2TGFBR1KCNH2
SCHEMBL29039439 0.68 PTGS2 (0.51) CDK2TGFBR1KCNH2
SCHEMBL1640578 0.68 CDK2 (0.53) CDK4CDK2

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-2231625-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO disclosed