SCHEMBL3386584

SCHEMBL3386584

O=C(Nc1ccc(-c2ccc3c(C(=O)O)n[nH]c3c2)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.63
FLT3 P36888 3/20 0.63
NTRK1 P04629 3/20 0.63
KIT P10721 2/20 0.63
NTRK2 Q16620 2/20 0.63
AURKB Q96GD4 2/20 0.63
PLK4 O00444 1/20 0.63
AURKA O14965 1/20 0.63
ROCK2 O75116 1/20 0.63
CHEK2 O96017 1/20 0.63
EGFR P00533 1/20 0.63
LCK P06239 1/20 0.63
FYN P06241 1/20 0.63
CSF1R P07333 1/20 0.63
LYN P07948 1/20 0.63
FLT1 P17948 1/20 0.63
EPHA2 P29317 1/20 0.63
FLT4 P35916 1/20 0.63
BLK P51451 1/20 0.63
RPS6KA3 P51812 1/20 0.63

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
SCHEMBL3385660 0.91 KDR (0.78) KDRFLT3NTRK1KITNTRK2
SCHEMBL3384357 0.89 KDR (0.60) KDRFLT3NTRK1KITNTRK2
SCHEMBL3386119 0.85 KDR (0.56) KDRFLT3NTRK1KITNTRK2
SCHEMBL3384625 0.83 KDR (0.58) KDRFLT3NTRK1KITNTRK2
SCHEMBL3383253 0.81 NTRK1 (0.59) KDRFLT3NTRK1KITNTRK2
SCHEMBL3386591 0.80 KDR (0.50) KDRFLT3NTRK1KITNTRK2
SCHEMBL3387066 0.80 KDR (0.74) KDRFLT3NTRK1KITNTRK2
SCHEMBL422119 0.77 KDR (1.00) KDRFLT3NTRK1KITNTRK2
SCHEMBL3382781 0.77 KDR (0.69) KDRFLT3NTRK1KITNTRK2
SCHEMBL3387502 0.76 RAF1 (0.55) KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 WO claimed
WO-2010064875-A2 NOVEL INDAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS PROTEIN KINASE INHIBITORS FOR PROLIFERATIVE DISEASES TREATMENT, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 WO disclosed