SCHEMBL3385506

SCHEMBL3385506

CC(C)c1cnc(NC(=O)Cc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2F)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.44
FGFR3 P22607 11/20 0.44
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
CDK5 Q00535 2/20 0.43
CCNT1 O60563 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43
CDK5R1 Q15078 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FLT3 P36888 1/20 0.41
PIK3CA P42336 1/20 0.37

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
SCHEMBL3196212 0.87 KDR (0.46) KDRFGFR3FLT3
SCHEMBL3380938 0.87 KDR (0.46) KDRFGFR3FLT3
SCHEMBL3185886 0.87 FGFR3 (0.43) KDRFGFR3FLT3WNT3A
SCHEMBL3197245 0.87 KDR (0.44) KDRFGFR3FLT3PIK3CAMTOR
SCHEMBL3381810 0.84 CCNE1 (0.48) KDRFGFR3CCNE1CDK2CDK5
SCHEMBL3196061 0.84 KDR (0.46) KDRFGFR3ALDH1A1FLT3
SCHEMBL3385600 0.84 KDR (0.46) KDRFGFR3FLT3PIK3CAMTOR
SCHEMBL3379579 0.84 KDR (0.43) KDRFGFR3SMN1; SMN2FLT3
SCHEMBL3384404 0.83 KDR (0.42) KDRFGFR3FLT3PIK3CAMTOR
SCHEMBL3195990 0.82 KDR (0.42) KDRFGFR3CCNE1CDK2CDK5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128461-B Imidazo (1, 2-a) pyridine compounds as VEGF-R2 inhibitors LILLY CO ELI 2010-12-22 CN disclosed
EP-1904494-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS LILLY CO ELI (US) 2010-12-01 EP disclosed
CN-101128461-A Imidazo (1, 2-a) pyridine compounds as VEGF-R2 inhibitors LILLY CO ELI (US) 2008-02-20 CN disclosed