SCHEMBL7207090

SCHEMBL7207090

COc1nccc(C2=C(c3ccc(F)cc3)N=C(c3ccc(CN(C)C)cc3)[NH+]2[O-])n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.39
PIK3CA P42336 1/20 0.36
PRKD3 O94806 2/20 0.35
MAP4K4 O95819 2/20 0.35
PRKCA P17252 2/20 0.35
CSNK1A1 P48729 2/20 0.35
CSNK1D P48730 2/20 0.35
MINK1 Q8N4C8 2/20 0.35
MAP4K5 Q9Y4K4 2/20 0.35
MAPK13 O15264 2/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
KDM4E B2RXH2 1/20 0.35
EGFR P00533 1/20 0.35
RAF1 P04049 1/20 0.35
CYP1A2 P05177 1/20 0.35
LCK P06239 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7205220 0.88 MAPT (0.40) MAPK14PIK3CACYP1A2
SCHEMBL7208448 0.83 CNR2 (0.38) MAPK14PIK3CAPRKD3MAP4K4PRKCA
SCHEMBL7208454 0.77 MAPK14 (0.35) MAPK14PIK3CAPRKD3MAP4K4PRKCA
SCHEMBL7202366 0.72 MAPT (0.42) MAPK14PIK3CACYP1A2
SCHEMBL4585785 0.71 ALOX5 (0.64) MAPK14PRKD3MAP4K4PRKCACSNK1A1
SCHEMBL7205342 0.70 MAPK14 (0.42) MAPK14PIK3CAPRKD3MAP4K4PRKCA
SCHEMBL7202373 0.66 MAPT (0.40) MAPK14PIK3CACYP1A2
SCHEMBL6525916 0.63 MAPK14 (0.50) MAPK14CSNK1A1CSNK1DMAPK13MAPK12
SCHEMBL27825225 0.62 HRH3 (0.77) ALOX5
SCHEMBL7692664 0.62 RPS6KA3 (0.45) MAPK14PIK3CAPRKD3MAP4K4PRKCA

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
US-6610695-B1 Prophylaxis or treatment of CSBP/RK/p38 kinase mediated disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US disclosed
EP-0994870-A4 NOVEL ARYLOXY SUBSTITUTED PYRIMIDINE IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM (US) 2002-10-23 EP disclosed
EP-0994870-A1 NOVEL ARYLOXY SUBSTITUTED PYRIMIDINE IMIDAZOLE COMPOUNDS Smithkline Beecham (US) 2000-04-26 EP disclosed
WO-1998057966-A1 NOVEL ARYLOXY SUBSTITUTED PYRIMIDINE IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 WO disclosed