SCHEMBL6207192

SCHEMBL6207192

Cc1nnc(-c2cc(C)c(-c3ccccc3)cc2C(=O)NC2CC2)o1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.55
MAP2K1 Q02750 1/20 0.55
MAPK11 Q15759 1/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
KDR P35968 2/20 0.42
LCK P06239 1/20 0.42
KIT P10721 1/20 0.42
HCRTR1 O43613 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
FGFR3 P22607 1/20 0.41

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
SCHEMBL3225734 0.85 MAPK14 (0.44) MAPK14MAP2K1MAPK11CNR1CNR2
SCHEMBL6208952 0.84 MAPK14 (0.40) MAPK14MAP2K1GAAMEN1KMT2A
SCHEMBL6189876 0.84 MAPK14 (0.48) MAPK14MAPK11SMN1; SMN2ALDH1A1NPC1
SCHEMBL3225729 0.83 MAPK14 (0.43) MAPK14MAP2K1MAPK11SMN1; SMN2ALDH1A1
SCHEMBL27663169 0.77 GAA (0.44) MAPK14GAAMEN1KMT2ASMN1; SMN2
SCHEMBL27663237 0.76 GAA (0.45) MAPK14GAAMEN1KMT2ASMN1; SMN2
SCHEMBL5456029 0.76 MAPK14 (0.78) MAPK14MAP2K1MAPK11
SCHEMBL3072596 0.76 MAPK14 (0.82) MAPK14MAP2K1MAPK11KDRLCK
SCHEMBL27642695 0.76 GAA (0.52) MAPK14MAPK11GAAMEN1KMT2A
SCHEMBL5655561 0.73 MAPK14 (0.62) MAPK14MAP2K1MAPK11GAAMEN1

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
EP-1499600-A1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-26 EP disclosed
WO-2003093248-A1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-11-13 WO disclosed