SCHEMBL13072052

SCHEMBL13072052

C/C(S)=C/n1cnc(-c2ccc(F)cc2)c1-c1ccnc(S(C)(=O)=O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.42
MAPK13 O15264 6/20 0.39
MAPK12 P53778 6/20 0.39
MAPK11 Q15759 6/20 0.39
EGFR P00533 2/20 0.39
CSNK1D P48730 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
RAF1 P04049 1/20 0.39
CYP1A2 P05177 1/20 0.39
LCK P06239 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PRKCA P17252 1/20 0.39
CYP2C19 P33261 1/20 0.39
FRK P42685 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1A1 P48729 1/20 0.39
MINK1 Q8N4C8 1/20 0.39

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
SCHEMBL23795646 0.78 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL29841886 0.78 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL23795637 0.76 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL2410945 0.74 RAB9A (0.56) KDM4EMAP4K4MITFALDH1A1LMNA
SCHEMBL8162473 0.73 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL29841962 0.72 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL23795662 0.72 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL1730877 0.71 PRKD3 (0.58) MAPK14MAPK13CSNK1DPRKD3MAP4K4
SCHEMBL3519701 0.70 MAPK9 (0.58) MAPK14EGFRCSNK1DPRKD3MAP4K4
SCHEMBL1730222 0.69 PTGS2 (0.66) MAPK14MAPK11EGFRCSNK1DPRKD3

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
EP-2251343-A1 IMIDAZOTHIAZOLES AS P38-KINASE-INHIBITORS ARQULE, INC. (US) 2010-11-17 EP disclosed