SCHEMBL3386648

SCHEMBL3386648

O=C(Nc1cccc(-c2ccc3c(C(=O)O)n[nH]c3c2)c1)Nc1cccc(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
GSK3B P49841 2/20 0.48
AAK1 Q2M2I8 2/20 0.48
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
MAPK14 Q16539 3/20 0.45
MAPK8 P45983 2/20 0.45
MAPK10 P53779 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3387473 0.87 PAK1 (0.48) KDRMEN1KMT2ALMNAMAPT
SCHEMBL3387499 0.87 CNR1 (0.56) KDRGSK3BPRKAB2PRKAG1PRKAA2
SCHEMBL3387051 0.86 KDR (0.47) KDRMEN1KMT2ALMNAMAPT
SCHEMBL3383307 0.81 KDR (0.49) KDRMEN1KMT2AMAPTGSK3B
SCHEMBL3386350 0.80 DYRK1A (0.55) KDRMAPK14MAPK8MAPK10DYRK1A
SCHEMBL3386591 0.79 KDR (0.50) KDRMEN1KMT2ALMNAMAPT
SCHEMBL3385660 0.75 KDR (0.78) KDRMEN1KMT2AMAPTRAB9A
SCHEMBL3384625 0.74 KDR (0.58) KDRMAPK14PLK4AURKAROCK2
SCHEMBL3384615 0.74 SMN1; SMN2 (0.53) MAPTAAK1NPC1RAB9ASMN1; SMN2
SCHEMBL3386670 0.74 RAF1 (0.52) KDRAAK1PLK4AURKAROCK2

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