SCHEMBL6166933

SCHEMBL6166933

Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2[S+]([O-])c2ccc(F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.53
KDR P35968 8/20 0.53
LCK P06239 7/20 0.53
CSF1R P07333 1/20 0.53
KIT P10721 9/20 0.49
ABL1 P00519 1/20 0.49
MAPK13 O15264 2/20 0.49
MAPK9 P45984 5/20 0.48
MAPK10 P53779 2/20 0.48
LYN P07948 1/20 0.47
RAF1 P04049 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
RIPK2 O43353 1/20 0.47

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
SCHEMBL4229997 0.85 NR3C1 (0.58) MAPK14KDRLCKCSF1RKIT
SCHEMBL6179790 0.85 MAPK14 (0.57) MAPK14KDRLCKCSF1RKIT
SCHEMBL3527666 0.82 MAPK14 (0.54) MAPK14KDRLCKCSF1RKIT
SCHEMBL4219489 0.82 NR3C1 (0.56) MAPK14KDRLCKCSF1RKIT
SCHEMBL3520197 0.77 MAPK14 (0.60) MAPK14KDRLCKCSF1RKIT
SCHEMBL3520802 0.76 MAPK14 (0.59) MAPK14KDRLCKCSF1RKIT
SCHEMBL13546257 0.76 MAPK14 (0.61) MAPK14KDRLCKCSF1RKIT
SCHEMBL3526396 0.76 MAPK14 (0.63) MAPK14KDRLCKCSF1RKIT
SCHEMBL3527948 0.76 MAPK14 (0.59) MAPK14KDRLCKCSF1RKIT
SCHEMBL3526740 0.76 MAPK14 (0.52) MAPK14KDRLCKCSF1RKIT

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
EP-1531812-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
WO-2004010995-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO disclosed