SCHEMBL3434769

SCHEMBL3434769

CN(C)c1nc(-c2cccc(-c3ccc(F)c(C(N)=O)c3F)c2)c(-c2ccnc(Cl)n2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.35
CDK2 P24941 6/20 0.33
CDC7 O00311 5/20 0.33
DBF4 Q9UBU7 4/20 0.33
CCNE1 P24864 3/20 0.33
TGFBR1 P36897 1/20 0.33
CDK1 P06493 2/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CSNK1A1 P48729 2/20 0.32
CSNK1D P48730 2/20 0.32
CDK9 P50750 2/20 0.32
CSNK2A1 P68400 2/20 0.32
CCNT1 O60563 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
NR1I2 O75469 1/20 0.32
ALDH1A2 O94788 1/20 0.31
CDK4 P11802 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL1641680 0.79 BRAF (0.49) BRAFCSNK1DALDH1A2PRKD3CHEK2
SCHEMBL3434765 0.74 ALDH1A2 (0.32) BRAFALDH1A2
SCHEMBL5223920 0.74 MAPK14 (0.37) BRAFCDK2CDC7CDK1CCNB1
SCHEMBL5225154 0.74 SLC2A1 (0.46) CDK2CDK1CCNB1CCNA2SCN9A
SCHEMBL3421116 0.74 MAPK14 (0.37) BRAFCDK2CDC7DBF4CCNE1
SCHEMBL2193407 0.72 BRAF (0.61) BRAFCDK2TGFBR1CDK1NR1I2
SCHEMBL9989084 0.72 BRAF (0.55) BRAFCDK2TGFBR1CDK1NR1I2
SCHEMBL1640122 0.71 TGFBR1 (0.41) BRAFTGFBR1NR1I2RORC
SCHEMBL5228233 0.70 FFAR1 (0.40) CDK2CDK1CCNB1CCNA2
SCHEMBL3434367 0.70 JAK2 (0.35) CDK2CDC7DBF4CCNE1CDK1

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