SCHEMBL2212815

SCHEMBL2212815

CSc1nn(-c2cc(C(=O)NC3CC3)ccc2C)c(N)c1OC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.48
KHK P50053 2/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK11 Q15759 1/20 0.42

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
SCHEMBL2214450 0.89 MAPK14 (0.46) MAPK14KHKCYP3A4CYP2C9MAPK11
SCHEMBL1384078 0.85 MAPK14 (0.51) MAPK14KHKCYP3A4CYP2C9MAPK11
SCHEMBL2218495 0.84 MAPK14 (0.48) MAPK14CYP3A4CYP2C9MAPK11
SCHEMBL1417107 0.83 MAPK14 (0.51) MAPK14KHKCYP3A4CYP2C9MAPK11
SCHEMBL1382689 0.82 MAPK14 (0.49) MAPK14KHKCYP3A4CYP2C9MAPK11
SCHEMBL1385810 0.81 MAPK14 (0.47) MAPK14KHKCYP3A4CYP2C9MAPK11
SCHEMBL12936022 0.78 MAPK14 (0.47) MAPK14KHKCYP3A4CYP2C9MAPK11
SCHEMBL2216787 0.77 MAPK14 (0.48) MAPK14CYP3A4CYP2C9MAPK11
SCHEMBL11965677 0.77 MAPK14 (0.54) MAPK14CYP3A4CYP2C9MAPK11
SCHEMBL11996696 0.76 MAPK14 (0.44) MAPK14KHKCYP3A4CYP2C9MAPK11

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-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP claimed