SCHEMBL3386591

SCHEMBL3386591

O=C(Nc1ccc(-c2ccc3c(C(=O)O)n[nH]c3c2)cc1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.50
EPHX1 P07099 2/20 0.50
EPHX2 P34913 2/20 0.50
PLK4 O00444 1/20 0.49
AURKA O14965 1/20 0.49
ROCK2 O75116 1/20 0.49
CHEK2 O96017 1/20 0.49
EGFR P00533 1/20 0.49
NTRK1 P04629 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
LYN P07948 1/20 0.49
KIT P10721 1/20 0.49
FLT1 P17948 1/20 0.49
EPHA2 P29317 1/20 0.49
FLT4 P35916 1/20 0.49
FLT3 P36888 1/20 0.49
BLK P51451 1/20 0.49
RPS6KA3 P51812 1/20 0.49

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
SCHEMBL3387499 0.92 CNR1 (0.56) KDREPHX1EPHX2PLK4AURKA
SCHEMBL3384625 0.87 KDR (0.58) KDRPLK4AURKAROCK2CHEK2
SCHEMBL3384180 0.84 KDM4E (0.48) KDREPHX1EPHX2PLK4AURKA
SCHEMBL3386584 0.80 KDR (0.63) KDRPLK4AURKAROCK2CHEK2
SCHEMBL3385660 0.80 KDR (0.78) KDRPLK4AURKAROCK2CHEK2
SCHEMBL3386648 0.79 KDR (0.52) KDRPLK4AURKAROCK2CHEK2
SCHEMBL3386715 0.79 KDR (0.58) KDRPLK4AURKAROCK2CHEK2
SCHEMBL3386670 0.79 RAF1 (0.52) KDRPLK4AURKAROCK2CHEK2
SCHEMBL3386722 0.78 RAF1 (0.53) KDRPLK4AURKAROCK2CHEK2
SCHEMBL3380466 0.78 PAK1 (0.47) ROCK2ITKDYRK1AKMT2APRKAB2

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