SCHEMBL27742965

SCHEMBL27742965

Nc1c(C(=O)c2ccc(F)cc2)ccc(=O)n1-c1ccc(CCNC(C(=O)OC2CCCC2)c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.69
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
HAT1 O14929 3/20 0.40
EP300 Q09472 3/20 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
SCHEMBL12234694 1.00 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11HAT1
SCHEMBL12234630 0.93 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11
SCHEMBL22641528 0.93 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11
SCHEMBL13086495 0.91 MAPK14 (0.83) MAPK14MAPK13MAPK12MAPK11
SCHEMBL12234641 0.89 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2540321 0.87 MAPK14 (0.62) MAPK14HAT1EP300
SCHEMBL12234696 0.86 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11HAT1
SCHEMBL2546291 0.85 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2546288 0.85 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11
SCHEMBL14391369 0.85 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101437799-A P38MAP kinase inhibitors CHROMA THERAPEUTICS LTD (GB) 2009-05-20 CN claimed
CN-102942520-A P38 map kinase inhibitors CHROMA THERAPEUTICS LTD 2013-02-27 CN disclosed
CN-101437799-A P38MAP kinase inhibitors CHROMA THERAPEUTICS LTD (GB) 2009-05-20 CN disclosed