SCHEMBL3421116

SCHEMBL3421116

Cc1nc(-c2cccc(-c3cc(F)cc(C(N)=O)c3F)c2)c(-c2ccnc(Cl)n2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.37
CDC7 O00311 5/20 0.36
BRAF P15056 3/20 0.35
JAK2 O60674 6/20 0.35
CDK2 P24941 5/20 0.35
DBF4 Q9UBU7 3/20 0.35
CCNE1 P24864 2/20 0.35
CDK4 P11802 2/20 0.35
PLK4 O00444 1/20 0.35
MAPK13 O15264 1/20 0.35
PDPK1 O15530 1/20 0.35
DAPK3 O43293 1/20 0.35
DYRK3 O43781 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PRKCG P05129 1/20 0.35
CDK1 P06493 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 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
SCHEMBL3434367 0.85 JAK2 (0.35) CDC7JAK2CDK2DBF4CCNE1
SCHEMBL1642029 0.76 CDK2 (0.48) MAPK14BRAFCDK2CCNE1CDK4
SCHEMBL5226662 0.76 SLC2A1 (0.41) MAPK14MAPK1MAPK8MAPK9GSK3B
SCHEMBL1640558 0.75 LCLAT1 (0.45) MAPK14BRAFCDK2CDK4
SCHEMBL3422428 0.75 MAPK14 (0.48) MAPK14CDK2CDK4
SCHEMBL3434769 0.74 BRAF (0.35) CDC7BRAFJAK2CDK2DBF4
SCHEMBL1641904 0.73 BRAF (0.51) MAPK14BRAFCDK2CDK4
SCHEMBL3421110 0.72 MAPK14 (0.34) MAPK14BRAFCDK2CDK4
SCHEMBL31111557 0.72 CDK2 (0.41) BRAFJAK2CDK2CCNE1CDK4
SCHEMBL30410597 0.72 PTGS2 (0.51) CDK2

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