SCHEMBL3386715

SCHEMBL3386715

O=C(Nc1ccc(-c2ccc3[nH]nc(C(=O)O)c3c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.58
AURKB Q96GD4 2/20 0.52
RIPK1 Q13546 1/20 0.52
EPHB4 P54760 1/20 0.52
TEK Q02763 1/20 0.50
RAF1 P04049 2/20 0.49
BRAF P15056 2/20 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

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
SCHEMBL3384625 0.92 KDR (0.58) KDRAURKBRIPK1EPHB4TEK
SCHEMBL3386664 0.89 KDR (0.57) KDRAURKBRIPK1EPHB4TEK
SCHEMBL3385938 0.81 KDR (0.54) KDRAURKBRIPK1EPHB4RAF1
SCHEMBL3384255 0.80 RAF1 (0.60) RAF1BRAFDYRK1A
SCHEMBL3386591 0.79 KDR (0.50) KDRAURKBRAF1PLK4AURKA
SCHEMBL3387510 0.79 KDR (0.52) KDRAURKBEPHB4RAF1BRAF
SCHEMBL28459905 0.77 KDR (0.78) KDRAURKBRIPK1EPHB4TEK
SCHEMBL3386584 0.75 KDR (0.63) KDRAURKBEPHB4TEKPLK4
SCHEMBL118026 0.75 KDR (1.00) KDRCA1CA2CA7CA9
SCHEMBL29364392 0.75 KDR (1.00) KDRCA1CA2CA7CA9

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