SCHEMBL3387499

SCHEMBL3387499

O=C(Nc1cccc(-c2ccc3c(C(=O)O)n[nH]c3c2)c1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.56
RAF1 P04049 2/20 0.54
BRAF P15056 1/20 0.53
CBS P35520 1/20 0.52
KDR P35968 7/20 0.49
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

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
SCHEMBL3386591 0.92 KDR (0.50) CNR1RAF1CBSKDRPLK4
SCHEMBL3386648 0.87 KDR (0.52) CNR1KDRPLK4AURKAROCK2
SCHEMBL3386670 0.86 RAF1 (0.52) CNR1RAF1BRAFKDRPLK4
SCHEMBL3386722 0.85 RAF1 (0.53) CNR1RAF1BRAFKDRPLK4
SCHEMBL3384625 0.81 KDR (0.58) RAF1BRAFKDRPLK4AURKA
SCHEMBL3383307 0.80 KDR (0.49) RAF1KDRPLK4AURKAROCK2
SCHEMBL3385660 0.79 KDR (0.78) KDRPLK4AURKAROCK2CHEK2
SCHEMBL3384180 0.78 KDM4E (0.48) CNR1RAF1KDRPLK4AURKA
SCHEMBL3384615 0.76 SMN1; SMN2 (0.53) ROCK2FLT3
SCHEMBL3387504 0.75 KDR (0.57) RAF1BRAFKDRPLK4AURKA

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