SCHEMBL2216554

SCHEMBL2216554

Cc1ccccc1CNC(=O)Oc1cnn(-c2cc(C(=O)NC3CC3)ccc2C)c1N

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.47
MAPK11 Q15759 3/20 0.47
DRD4 P21917 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.41
EPHX2 P34913 1/20 0.41
LCK P06239 1/20 0.40
KIT P10721 1/20 0.40
KDR P35968 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 0.91 MAPK14 (0.52) MAPK14MAPK11
SCHEMBL2218498 0.88 MAPK14 (0.46) MAPK14MAPK11DRD4
SCHEMBL2218419 0.87 EPHX2 (0.43) MAPK14MAPK11TP53EPHX2
SCHEMBL2213705 0.87 MAPK14 (0.52) MAPK14MAPK11KIT
SCHEMBL1417370 0.86 MAPK14 (0.59) MAPK14MAPK11DRD4LMNATP53
SCHEMBL2215688 0.86 MAPK14 (0.48) MAPK14MAPK11LMNALCKKIT
SCHEMBL2217376 0.85 MAPK14 (0.45) MAPK14MAPK11DRD4LMNA
SCHEMBL2215757 0.85 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL2214420 0.85 MAPK14 (0.56) MAPK14MAPK11DRD4
SCHEMBL2214745 0.85 MAPK14 (0.44) MAPK14MAPK11LMNA

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