SCHEMBL7652404

SCHEMBL7652404

C[C@@H](CCN1CCOCC1)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.57
MAPK13 O15264 9/20 0.57
MAPK12 P53778 9/20 0.57
MAPK11 Q15759 9/20 0.57

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
SCHEMBL5619882 0.84 MAPK14 (0.59) MAPK14MAPK11
SCHEMBL4592699 0.84 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4982773 0.82 MAPK14 (0.61) MAPK14MAPK11
SCHEMBL4986365 0.82 MAPK14 (0.61) MAPK14MAPK11
SCHEMBL4987749 0.82 MAPK14 (0.58) MAPK14MAPK11
SCHEMBL4985137 0.82 MAPK14 (0.61) MAPK14MAPK11
SCHEMBL6947142 0.82 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4593758 0.79 MAPK13 (0.82) MAPK14MAPK13MAPK12MAPK11
SCHEMBL8323305 0.79 MAPK13 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4984681 0.78 MAPK14 (0.62) MAPK14

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
US-6489325-B1 INHIBITORS OF CSBP/P38, ONE OF SEVERAL KINASES INVOLVED IN A STRESS-RESPONSE SIGNAL TRANSDUCTION, DECREASE THE SYNTHESIS OF A WIDE VARIETY OF PRO-INFLAMMATORY PROTEINS INCLUDING, IL-6, IL-8, GM-CSF, AND COX-2 SMITHKLINE BEECHAM CORPORATION 2002-12-03 US disclosed