SCHEMBL2216010

SCHEMBL2216010

Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(OC(=O)NCc2cccc(C(F)(F)F)c2)c1N

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
CCR1 P32246 6/20 0.43
DRD4 P21917 1/20 0.43
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
MAPK14 Q16539 7/20 0.42
MAPK11 Q15759 3/20 0.42
DDR2 Q16832 2/20 0.42
RIPK2 O43353 1/20 0.40

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
SCHEMBL2214347 0.89 MAPK14 (0.52) ROCK2ROCK1MAPK14MAPK11RIPK2
SCHEMBL2217376 0.89 MAPK14 (0.45) DRD4ROCK2ROCK1MAPK14MAPK11
SCHEMBL2214420 0.88 MAPK14 (0.56) DRD4ROCK2ROCK1MAPK14MAPK11
SCHEMBL1416977 0.88 MAPK14 (0.56) CCR1DRD4MAPK14MAPK11DDR2
SCHEMBL2215688 0.86 MAPK14 (0.48) MAPK14MAPK11
SCHEMBL2214745 0.85 MAPK14 (0.44) ROCK2ROCK1MAPK14MAPK11
SCHEMBL2216554 0.84 MAPK14 (0.47) DRD4MAPK14MAPK11
SCHEMBL2215757 0.82 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL2213705 0.82 MAPK14 (0.52) MAPK14MAPK11RIPK2
SCHEMBL2218498 0.82 MAPK14 (0.46) DRD4MAPK14MAPK11

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