SCHEMBL3385380

SCHEMBL3385380

CC(C)(C)c1cnc(NC(=O)Cc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.47
FGFR3 P22607 2/20 0.46
WNT3A P56704 8/20 0.45
FLT3 P36888 2/20 0.44
CYP3A4 P08684 1/20 0.41
CCNE2 O96020 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL13483161 0.89 WNT3A (0.49) KDRFGFR3WNT3AFLT3CYP3A4
SCHEMBL3380736 0.88 KDR (0.50) KDRFGFR3FLT3
SCHEMBL3385521 0.88 ALDH1A1 (0.55) KDRFGFR3WNT3AFLT3CYP3A4
SCHEMBL3382431 0.88 KDR (0.44) KDRFGFR3FLT3PIK3CAMTOR
SCHEMBL3380938 0.88 KDR (0.46) KDRFGFR3FLT3
SCHEMBL3386221 0.87 WNT3A (0.43) KDRFGFR3WNT3AFLT3CCNE2
SCHEMBL3383417 0.83 FLT3 (0.49) KDRFGFR3FLT3PIK3CAMTOR
SCHEMBL3196212 0.83 KDR (0.46) KDRFGFR3FLT3
SCHEMBL3385352 0.82 WNT3A (0.49) KDRFGFR3WNT3A
SCHEMBL3385668 0.81 RET (0.47) KDRFGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904494-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS LILLY CO ELI (US) 2010-12-01 EP disclosed