SCHEMBL5247399

SCHEMBL5247399

Cc1ccc(C(=O)NC2CCCCCCCC2)cc1-c1ccc2c(cnn2S(=O)(=O)C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.53
MAPK14 Q16539 15/20 0.52
KDR P35968 6/20 0.52
LCK P06239 5/20 0.52
CSF1R P07333 1/20 0.52
KIT P10721 7/20 0.51
MAPK9 P45984 5/20 0.50
RIPK2 O43353 1/20 0.48
MAPK10 P53779 2/20 0.47
LYN P07948 1/20 0.47
MAPK13 O15264 2/20 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
SCHEMBL3523486 0.95 MAPK14 (0.57) MAPK14KDRLCKCSF1RKIT
SCHEMBL3520197 0.85 MAPK14 (0.60) ABL1MAPK14KDRLCKCSF1R
SCHEMBL3520802 0.84 MAPK14 (0.59) ABL1MAPK14KDRLCKCSF1R
SCHEMBL3523117 0.84 MAPK14 (0.58) MAPK14KDRLCKCSF1RKIT
SCHEMBL3526945 0.82 MAPK13 (0.53) MAPK14MAPK13
SCHEMBL2213889 0.82 MAPK14 (0.50) MAPK14KDRLCKCSF1RRIPK2
SCHEMBL3524200 0.82 MAPK14 (0.54) MAPK14KDRLCKCSF1RKIT
SCHEMBL3524964 0.81 MAPK14 (0.55) MAPK14KDRLCKCSF1RKIT
SCHEMBL3523058 0.81 MAPK14 (0.56) MAPK14KDRLCKCSF1RKIT
SCHEMBL3524628 0.81 MAPK14 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531812-B1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP disclosed