SCHEMBL8793246

SCHEMBL8793246

Cc1cccc([N+](=O)[O-])c1-c1nc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 12/20 0.63
▸ MAPK11 Q15759 9/20 0.63
▸ ALOX5 P09917 9/20 0.63
▸ MAPK13 O15264 8/20 0.63
▸ MAPK12 P53778 8/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ RIPK2 O43353 1/20 0.63
▸ GMNN O75496 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ TP53 P04637 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ THRB P10828 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ NFKB1 P19838 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ THPO P40225 1/20 0.63
▸ MTOR P42345 1/20 0.63
▸ RECQL P46063 1/20 0.63

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
SCHEMBL8792577 0.90 MAPK14 (0.56) MAPK14MAPK11ALOX5MAPK13MAPK12
SCHEMBL17002178 0.88 MAPK14 (0.63) MAPK14MAPK11ALOX5MAPK13MAPK12
SCHEMBL8793341 0.88 MAPK14 (0.63) MAPK14MAPK11ALOX5MAPK13MAPK12
SCHEMBL17002222 0.87 MAPK14 (0.76) MAPK14MAPK11ALOX5MAPK13MAPK12
SCHEMBL18960509 0.83 MAPK14 (0.83) MAPK14MAPK11ALOX5MAPK13MAPK12
SCHEMBL6447986 0.83 MAPK14 (0.69) MAPK14MAPK11ALOX5MAPK13MAPK12
SCHEMBL6971902 0.81 MAPK14 (0.68) MAPK14MAPK11ALOX5MAPK13MAPK12
SCHEMBL6957125 0.79 MAPK14 (0.58) MAPK14MAPK11ALOX5MAPK13MAPK12
Pd-169316 SCHEMBL9899161 0.78 MAPK14 (1.00) MAPK14MAPK11ALOX5MAPK13MAPK12
Pd-169316 SCHEMBL154958 0.78 MAPK14 (1.00) MAPK14MAPK11ALOX5MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797575-A1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 1997-10-01 — — EP claimed
WO-1996018626-A1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 1996-06-20 — — WO claimed
EP-0797575-A1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 1997-10-01 — — EP disclosed
EP-0669830-A4 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1997-02-26 — — EP disclosed
WO-1996018626-A1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 1996-06-20 — — WO disclosed
EP-0669830-A1 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-09-06 — — EP disclosed
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