SCHEMBL4718342

SCHEMBL4718342

Cn1c(=O)c(Oc2ccc(F)cc2F)cc2nn(COCC[Si](C)(C)C)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 12/20 0.41
▸ MAPK8 P45983 8/20 0.39
▸ MAPK9 P45984 3/20 0.38
▸ MAPK10 P53779 3/20 0.38
▸ MAPK11 Q15759 3/20 0.38
▸ RPS6KA4 O75676 2/20 0.38
▸ RPS6KA3 P51812 2/20 0.38
▸ NLK Q9UBE8 2/20 0.38
▸ CSNK1E P49674 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ BRD4 O60885 3/20 0.38
▸ GAK O14976 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ DDR1 Q08345 1/20 0.38
▸ TAOK1 Q7L7X3 1/20 0.38
▸ COQ8A Q8NI60 1/20 0.38
▸ PRKD2 Q9BZL6 1/20 0.38

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
SCHEMBL4013172 0.80 MAPK14 (0.46) MAPK14MAPK8MAPK9MAPK10MAPK11
SCHEMBL16739005 0.71 BRD4 (0.43) BRD4
SCHEMBL16738692 0.69 BRD4 (0.59) BRD4
SCHEMBL4014501 0.69 BRD4 (0.38) MAPK14MAPK8BRD4
SCHEMBL16758613 0.68 BRD4 (0.41) BRD4
SCHEMBL16758610 0.67 BRD4 (0.40) BRD4
SCHEMBL20154915 0.67 BRD4 (0.44) BRD4
SCHEMBL5514200 0.67 ALOX5AP (0.46) MAPK1
SCHEMBL15771930 0.66 BRD4 (0.46) BRD4
SCHEMBL20155086 0.66 BRD4 (0.44) BRD4

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-1919470-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 — — EP disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 — — WO disclosed
EP-1737865-A1 FUSED DERIVATIVES OF PYRAZOLE F.HOFFMANN-LA ROCHE AG (CH) 2007-01-03 — — EP disclosed
WO-2005085249-A1 FUSED DERIVATIVES OF PYRAZOLE F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 — — WO disclosed
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