SCHEMBL7688853

SCHEMBL7688853

O=c1[nH]c2nc(NCCCN3CCOCC3)ncc2nc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ POLB P06746 3/20 0.47
▸ PKM P14618 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 4/20 0.45
▸ LMNA P02545 2/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ MERTK Q12866 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ FGFR1 P11362 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ FGFR2 P21802 1/20 0.41
▸ FGFR4 P22455 1/20 0.41
▸ FGFR3 P22607 1/20 0.41

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
SCHEMBL7695066 0.87 MERTK (0.51) MAPTPOLBALDH1A1GAAHTT
SCHEMBL7695125 0.82 KDM4E (0.51) GAALMNAMERTKKDM4E
SCHEMBL7695534 0.79 ACP1 (0.45) ALDH1A1GAAMERTK
SCHEMBL2948725 0.76 MAPT (0.59) MAPTPOLBPKMALDH1A1GAA
SCHEMBL2376571 0.73 MAPT (0.68) MAPTPOLBPKMALDH1A1GAA
SCHEMBL7694476 0.73 ALDH1A1 (0.45) ALDH1A1GAAMAPK1KDM4E
SCHEMBL7690773 0.71 HSD17B10 (0.43) ALDH1A1GAAMAPK1MERTKKDM4E
SCHEMBL4074395 0.71 FGFR1 (0.52) MAPTPOLBGAAHTTLMNA
SCHEMBL3185546 0.71 MAPT (0.61) MAPTPOLBPKMALDH1A1KDM4E
SCHEMBL7694208 0.71 TNKS (0.41) MAPTPOLBALDH1A1GAAHTT

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-2002076954-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-03 — — WO disclosed
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