SCHEMBL3386221

SCHEMBL3386221

CC(C)(C)c1cnc(NC(=O)Cc2ccc(-c3cnc4cc(-c5cn[nH]c5)ccn34)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.43
CHEK1 O14757 3/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
KDR P35968 7/20 0.39
CCNE2 O96020 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
ROCK2 O75116 1/20 0.38
FLT3 P36888 2/20 0.38
CHEK2 O96017 2/20 0.38

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
SCHEMBL3385380 0.87 KDR (0.47) WNT3AKDRCCNE2CCNE1CDK2
SCHEMBL3176763 0.82 RET (0.53) WNT3AKDRFLT3
SCHEMBL13483702 0.77 WNT3A (0.47) WNT3ACHEK1KDRFLT3CHEK2
SCHEMBL3380736 0.76 KDR (0.50) KDRFLT3FGFR3
SCHEMBL13483161 0.76 WNT3A (0.49) WNT3AKDRROCK2FLT3FGFR3
SCHEMBL3380938 0.76 KDR (0.46) KDRFLT3FGFR3
SCHEMBL3382431 0.76 KDR (0.44) KDRFLT3FGFR3
SCHEMBL3385521 0.76 ALDH1A1 (0.55) WNT3AKDRFLT3FGFR3
SCHEMBL3382705 0.75 FGFR3 (0.43) WNT3AKDRFGFR3
SCHEMBL3385891 0.75 KDR (0.40) WNT3AKDRFGFR3

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