SCHEMBL5832604

SCHEMBL5832604

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(CC3CC4CC[C@@H](C3)N4C(=O)c3c(-c4ccccc4)noc3C)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.51
MAPK13 O15264 9/20 0.51
MAPK12 P53778 8/20 0.51
MAPK11 Q15759 8/20 0.51
PTK2 Q05397 2/20 0.44
KCNJ6 P48051 1/20 0.44
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44

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
SCHEMBL3878700 1.00 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3880400 0.93 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3884596 0.91 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3883786 0.91 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3886651 0.90 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3886641 0.86 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3882742 0.86 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3876330 0.86 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3874224 0.85 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3877323 0.85 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11PTK2

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
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed