SCHEMBL27627770

SCHEMBL27627770

CC(=O)Oc1[nH]c(Br)c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.44
MAPK11 Q15759 5/20 0.44
KCNH2 Q12809 1/20 0.44
MAPK13 O15264 4/20 0.44
MAPK12 P53778 4/20 0.44
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
HASPIN Q8TF76 1/20 0.40
ALOX5 P09917 1/20 0.40
GCGR P47871 1/20 0.40
CDC7 O00311 1/20 0.40
LTA4H P09960 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
SCHEMBL6221283 0.78 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12CCNC
SCHEMBL27627755 0.76 MAPK14 (0.45) MAPK14MAPK11KCNH2MAPK13MAPK12
SCHEMBL27627754 0.76 MAPK14 (0.45) MAPK14MAPK11KCNH2MAPK13MAPK12
SCHEMBL27627894 0.74 MAPK14 (0.44) MAPK14MAPK11KCNH2MAPK13MAPK12
SCHEMBL27627887 0.74 MAPK14 (0.44) MAPK14MAPK11KCNH2MAPK13MAPK12
SCHEMBL27627774 0.74 PTGDR2 (0.43) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL27608554 0.70 MAPK14 (0.46) MAPK14MAPK11KCNH2MAPK13MAPK12
SCHEMBL27608556 0.69 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12
SCHEMBL2662514 0.66 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL6377962 0.65 HTR3A (0.47) MAPK14MAPK11MAPK13MAPK12CCNC

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
CN-1701069-A 3,4-disubstituted pyrroles and their for use in treating inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2005-11-23 CN disclosed