SCHEMBL6190571

SCHEMBL6190571

Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(C3CCNCC3)onc2c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.71
MAPK13 O15264 1/20 0.54
SGK1 O00141 1/20 0.52
LCK P06239 2/20 0.50
KDR P35968 2/20 0.50
CSF1R P07333 1/20 0.50
KIT P10721 3/20 0.49
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
RAF1 P04049 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL3522859 0.83 MAPK14 (1.00) MAPK14MAPK13LCKKDRCSF1R
SCHEMBL6172096 0.83 MAPK14 (0.55) MAPK14MAPK13SGK1LCKKDR
SCHEMBL6170492 0.83 MAPK14 (0.55) MAPK14LCKCSF1R
SCHEMBL6171249 0.82 MAPK14 (0.71) MAPK14MAPK13SGK1LCKKDR
SCHEMBL3525957 0.78 MAPK14 (0.84) MAPK14MAPK13SGK1LCKKDR
SCHEMBL2950521 0.77 MAPK14 (0.68) MAPK14LCKKDRCSF1RKIT
SCHEMBL2949595 0.77 MAPK14 (0.68) MAPK14LCKKDRCSF1RKIT
SCHEMBL6171833 0.77 MAPK14 (0.65) MAPK14MAPK13SGK1LCKKDR
SCHEMBL3524620 0.76 MAPK13 (0.83) MAPK14MAPK13SGK1LCKKDR
SCHEMBL6168068 0.75 MAPK14 (0.59) MAPK14MAPK13SGK1LCKKDR

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