SCHEMBL628902

SCHEMBL628902

Nc1ccc(Cl)cc1N(C=O)c1n[nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
PDPK1 O15530 1/20 0.39
CYP3A4 P08684 1/20 0.39
FADS1 O60427 2/20 0.37
TRPA1 O75762 1/20 0.36
JAK2 O60674 5/20 0.36
IDO1 P14902 2/20 0.35
AURKA O14965 1/20 0.35
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
ROCK1 Q13464 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
JAK1 P23458 4/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL6598902 0.90 GAA (0.39) KDM4EGAAPDPK1CYP3A4FADS1
SCHEMBL6597125 0.84 KDM4E (0.45) KDM4EGAAPDPK1CYP3A4JAK2
SCHEMBL6610162 0.81 MAPT (0.43) GAAFADS1TRPA1MEN1KMT2A
SCHEMBL6599982 0.79 TRPA1 (0.44) KDM4EGAAPDPK1CYP3A4FADS1
SCHEMBL6599003 0.79 MAPT (0.45) CYP3A4FADS1TRPA1MEN1KMT2A
SCHEMBL3538401 0.75 NTRK1 (0.37) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL6597236 0.74 KDM4E (0.38) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL6602000 0.70 NOS1 (0.43) KDM4EGAAPDPK1CYP3A4RAB9A
SCHEMBL27732388 0.70 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL6595697 0.69 FLT3 (0.43) KDM4EGAAPDPK1CYP3A4IDO1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1820503-B1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA SRL (IT) 2012-02-22 EP disclosed
EP-1820503-A2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them Pfizer Italia S.r.l. (IT) 2007-08-22 EP disclosed
EP-1432416-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pharmacia Italia S.p.A. (IT) 2004-06-30 EP disclosed
WO-2003028720-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA ITALIA S.P.A. (IT) 2003-04-10 WO disclosed