SCHEMBL14015124

SCHEMBL14015124

OC[C@H](O)COc1ccc(Cl)c(-c2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.49
MAPK11 Q15759 1/20 0.46
LPAR2 Q9HBW0 1/20 0.37

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
SCHEMBL5100310 1.00 MAPK14 (0.49) MAPK14MAPK11LPAR2
SCHEMBL14015122 1.00 MAPK14 (0.49) MAPK14MAPK11LPAR2
SCHEMBL5093585 0.93 MAPK14 (0.49) MAPK14MAPK11LPAR2
SCHEMBL4015530 0.89 MAPK14 (0.51) MAPK14MAPK11LPAR2
SCHEMBL4016175 0.89 MAPK14 (0.49) MAPK14MAPK11
SCHEMBL5093706 0.88 MAPK14 (0.50) MAPK14MAPK11LPAR2
SCHEMBL4013145 0.88 MAPK14 (0.46) MAPK14MAPK11LPAR2
SCHEMBL13764813 0.88 MAPK14 (0.46) MAPK14MAPK11LPAR2
SCHEMBL5093937 0.85 MAPK14 (0.48) MAPK14MAPK11LPAR2
SCHEMBL14015108 0.85 MAPK14 (0.48) MAPK14MAPK11LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed