SCHEMBL3385660

SCHEMBL3385660

O=C(Nc1ccc(-c2ccc3c(C(=O)O)n[nH]c3c2)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.78
KIT P10721 5/20 0.78
FLT3 P36888 5/20 0.78
NTRK1 P04629 4/20 0.78
AURKB Q96GD4 4/20 0.78
CSF1R P07333 4/20 0.78
FLT1 P17948 4/20 0.78
NTRK2 Q16620 3/20 0.78
FLT4 P35916 3/20 0.78
FYN P06241 3/20 0.78
EPHA2 P29317 2/20 0.78
RPS6KA3 P51812 2/20 0.78
MARK2 Q7KZI7 2/20 0.78
LCK P06239 2/20 0.78
LYN P07948 2/20 0.78
BLK P51451 2/20 0.78
PLK4 O00444 1/20 0.78
AURKA O14965 1/20 0.78
ROCK2 O75116 1/20 0.78
CHEK2 O96017 1/20 0.78

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
SCHEMBL3386584 0.91 KDR (0.63) KDRKITFLT3NTRK1AURKB
SCHEMBL3387066 0.89 KDR (0.74) KDRKITFLT3NTRK1AURKB
SCHEMBL422119 0.88 KDR (1.00) KDRKITFLT3NTRK1AURKB
SCHEMBL3383253 0.87 NTRK1 (0.59) KDRKITFLT3NTRK1AURKB
SCHEMBL3382781 0.86 KDR (0.69) KDRKITFLT3NTRK1AURKB
SCHEMBL3382786 0.84 NTRK1 (0.56) KDRKITFLT3NTRK1AURKB
SCHEMBL3384625 0.83 KDR (0.58) KDRKITFLT3NTRK1AURKB
SCHEMBL3386591 0.80 KDR (0.50) KDRKITFLT3NTRK1AURKB
SCHEMBL3384357 0.80 KDR (0.60) KDRKITFLT3NTRK1AURKB
SCHEMBL1330237 0.80 FGFR1 (0.70) KDRKITFLT3NTRK1AURKB

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