SCHEMBL3385504

SCHEMBL3385504

CC(C)(C)c1nnc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.56
RAB9A P51151 4/20 0.51
NPC1 O15118 2/20 0.51
KDR P35968 8/20 0.51
FGFR3 P22607 6/20 0.51
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.45
BLM P54132 3/20 0.45
MEN1 O00255 2/20 0.45
FLT3 P36888 1/20 0.45
MCL1 Q07820 3/20 0.43
HTT P42858 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PSMD14 O00487 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL3386448 0.89 FLT3 (0.54) RAF1RAB9ANPC1KDRFGFR3
SCHEMBL3385859 0.88 NPC1 (0.48) RAF1RAB9ANPC1KDRFGFR3
SCHEMBL3384408 0.88 KDR (0.50) RAF1KDRFGFR3FLT3
SCHEMBL3385521 0.86 ALDH1A1 (0.55) KDRFGFR3FLT3CYP3A4
SCHEMBL3384029 0.86 KDR (0.56) KDRFGFR3FLT3
SCHEMBL3383417 0.84 FLT3 (0.49) KDRFGFR3FLT3
SCHEMBL3384061 0.82 KDR (0.56) KDRFGFR3
SCHEMBL3382515 0.82 CDK2 (0.52) KDRFGFR3FLT3
SCHEMBL3184870 0.82 KDR (0.61) RAF1KDRFGFR3
SCHEMBL3384190 0.81 KDR (0.62) 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