SCHEMBL27763578

SCHEMBL27763578

CC(C)CC(NCCc1ccc(-n2c(N)c(C(=O)c3ccc(F)cc3F)ccc2=O)cc1)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.81
MAPK13 O15264 2/20 0.62
MAPK12 P53778 2/20 0.62
MAPK11 Q15759 2/20 0.62

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
SCHEMBL2543130 1.00 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2543127 1.00 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2541605 0.91 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2541610 0.91 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3068319 0.90 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3062405 0.90 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL21141629 0.90 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3058386 0.90 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2540068 0.90 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11
SCHEMBL27742946 0.90 MAPK14 (0.80) 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 2 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-101437799-A P38MAP kinase inhibitors CHROMA THERAPEUTICS LTD (GB) 2009-05-20 CN disclosed