SCHEMBL13337374

SCHEMBL13337374

O=C(O)c1n[nH]c2cc(-c3ccc(I)cc3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 14/20 0.53
PRKAA1 Q13131 14/20 0.53
PRKAB1 Q9Y478 14/20 0.53
PRKAB2 O43741 13/20 0.47
PRKAA2 P54646 13/20 0.47
PRKAG3 Q9UGI9 13/20 0.47
PRKAG2 Q9UGJ0 13/20 0.47
FGFR1 P11362 2/20 0.46
FGFR2 P21802 2/20 0.46
FGFR3 P22607 2/20 0.46
JAK2 O60674 1/20 0.46
AAK1 Q2M2I8 1/20 0.45
GSK3B P49841 2/20 0.44
GSK3A P49840 1/20 0.44

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
SCHEMBL11971138 0.87 PRKAG1 (0.45) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL3380509 0.85 FGFR1 (0.58) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL3384680 0.80 PRKAG1 (0.49) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL3386730 0.78 PDPK1 (0.67) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL14699279 0.78 PRKACA (0.55) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL953396 0.78 PRKAG1 (0.55) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL14699223 0.77 GSK3B (0.58) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL14699429 0.77 PRKAG1 (0.48) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL12879075 0.76 PRKAG1 (0.46) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL176936 0.76 PRKAG1 (0.55) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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 1 patent. 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 disclosed