SCHEMBL5286949

SCHEMBL5286949

Cc1ccc(N)c(Nc2ccc3c(c2)CC(C)(C)C3=O)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
KDM4E B2RXH2 1/20 0.40
EGFR P00533 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL5296159 0.82 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL12310527 0.82 METAP1 (0.44) KDM4EGAA
SCHEMBL3051840 0.82 TSHR (0.37) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL3051914 0.81 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5293741 0.80 MAPK14 (0.58) MAPK14
SCHEMBL5285564 0.78 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3063392 0.76 MAPK14 (0.50) MAPK14KDM4EGAAMAPTTDP1
SCHEMBL27706509 0.76 MAPK14 (0.34) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5076262 0.75 MAPK14 (0.40) MAPK14
SCHEMBL5288032 0.74 MAPK14 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO claimed
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed