SCHEMBL3386505

SCHEMBL3386505

CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3cnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccn34)cc2)no1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.65
CSF1R P07333 2/20 0.65
NTRK1 P04629 2/20 0.65
KDR P35968 2/20 0.65
KCNH2 Q12809 1/20 0.65
CCDC6 Q16204 1/20 0.65
AURKA O14965 1/20 0.54
MAP4K4 O95819 1/20 0.54
EGFR P00533 1/20 0.54
AURKB Q96GD4 1/20 0.54
FLT3 P36888 9/20 0.49
ROCK1 Q13464 1/20 0.46
KIT P10721 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
SCHEMBL3381104 0.92 KDR (0.55) RETCSF1RNTRK1KDRKCNH2
SCHEMBL3186841 0.90 RET (0.53) RETCSF1RNTRK1KDRKCNH2
SCHEMBL3385345 0.89 RET (0.60) RETCSF1RNTRK1KDRKCNH2
SCHEMBL3385275 0.89 KDR (0.51) RETCSF1RNTRK1KDRKCNH2
SCHEMBL3383112 0.88 RET (0.53) RETCSF1RNTRK1KDRKCNH2
SCHEMBL3178793 0.88 RET (0.51) RETCSF1RNTRK1KDRKCNH2
SCHEMBL3383492 0.87 FLT3 (0.50) RETCSF1RNTRK1KDRKCNH2
SCHEMBL3383547 0.85 RET (0.56) RETCSF1RNTRK1KDRKCNH2
SCHEMBL3176763 0.85 RET (0.53) RETCSF1RNTRK1KDRKCNH2
SCHEMBL3188885 0.85 RET (0.58) RETCSF1RNTRK1KDRKCNH2

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