SCHEMBL5216080

SCHEMBL5216080

Cc1nnc(-c2ccc(-c3cc(C(=O)NCC4CC4)ccc3C)cc2)o1

nearest known ligand 0.88

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.88
MAPK11 Q15759 2/20 0.88
HSPB1 P04792 1/20 0.66
CYP2C9 P11712 1/20 0.66
MAP2K1 Q02750 1/20 0.60

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
SCHEMBL5464918 0.94 MAPK14 (1.00) MAPK14MAPK11HSPB1CYP2C9
SCHEMBL5116940 0.91 MAPK14 (0.79) MAPK14MAPK11HSPB1CYP2C9MAP2K1
SCHEMBL5632508 0.86 MAPK14 (1.00) MAPK14MAPK11HSPB1CYP2C9
SCHEMBL3072596 0.84 MAPK14 (0.82) MAPK14MAPK11HSPB1CYP2C9MAP2K1
SCHEMBL5456110 0.82 MAPK14 (1.00) MAPK14MAPK11HSPB1CYP2C9
SCHEMBL5462512 0.82 MAPK14 (0.90) MAPK14MAPK11HSPB1CYP2C9
SCHEMBL5465612 0.81 MAPK14 (1.00) MAPK14MAPK11HSPB1CYP2C9
SCHEMBL5629868 0.80 MAPK14 (0.88) MAPK14MAPK11HSPB1CYP2C9
SCHEMBL5463535 0.80 MAPK14 (0.75) MAPK14MAPK11MAP2K1
SCHEMBL6744546 0.80 MAPK14 (1.00) MAPK14MAPK11HSPB1CYP2C9

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-7425555-B2 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-09-16 US disclosed
US-7425555-B2 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-09-16 US disclosed
EP-1499600-B1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP disclosed
EP-1499600-B1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP disclosed