SCHEMBL7214778

SCHEMBL7214778

CC(Nc1cc(-c2ccnn2-c2ccc(F)cc2)ccn1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.59
NR3C2 P08235 2/20 0.57
CSNK1D P48730 1/20 0.56
PLK1 P53350 1/20 0.53
MAPK13 O15264 5/20 0.53
MAPK12 P53778 5/20 0.53
MAPK11 Q15759 5/20 0.53
HTR7 P34969 1/20 0.51

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
SCHEMBL7220616 0.78 NR3C2 (0.59) MAPK14NR3C2MAPK13MAPK12MAPK11
SCHEMBL7214775 0.76 NR3C2 (0.57) MAPK14NR3C2MAPK13MAPK12MAPK11
SCHEMBL6983426 0.74 MAPK14 (0.71) MAPK14NR3C2CSNK1DMAPK13MAPK12
SCHEMBL6983428 0.74 MAPK14 (0.71) MAPK14NR3C2CSNK1DMAPK13MAPK12
SCHEMBL27637382 0.73 NR3C2 (0.61) MAPK14NR3C2
SCHEMBL4539921 0.73 NR3C2 (1.00) NR3C2
SCHEMBL828307 0.72 MAPK14 (0.80) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL27742800 0.72 MAPK9 (0.51) MAPK14NR3C2
SCHEMBL13937256 0.72 MAPK14 (0.50) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL5353405 0.72 MAPK14 (0.68) MAPK14CSNK1DMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6509361-B1 Inhibit the activity of p38 MAP kinase. Also contemplated by the invention are processes for the preparation of the contemplated compounds and for the use of a contemplated compound in treating a mammalian host having a p38 kinase or PHARMACIA CORPORATION 2003-01-21 US disclosed
EP-1077971-A1 1,5-DIARYL SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-02-28 EP disclosed
WO-1999058523-A1 1,5-DIARYL SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 1999-11-18 WO disclosed