SCHEMBL6208952

SCHEMBL6208952

Cc1cc(-c2nnc(-c3cccn3C)o2)c(C(=O)NC2CC2)cc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.40
MAP2K1 Q02750 1/20 0.40
RIPK2 O43353 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR1 P21554 4/20 0.39
CNR2 P34972 4/20 0.39
HTR3A P46098 2/20 0.38
HTR7 P34969 1/20 0.38
LCK P06239 1/20 0.38
KIT P10721 1/20 0.38
KDR P35968 1/20 0.38
FAAH O00519 1/20 0.37
MAPK13 O15264 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL6207192 0.84 MAPK14 (0.55) MAPK14MAP2K1GAAMEN1KMT2A
SCHEMBL5118656 0.80 MAPK14 (0.59) MAPK14MAP2K1MAPK13
SCHEMBL3225734 0.73 MAPK14 (0.44) MAPK14MAP2K1CNR1CNR2KDR
SCHEMBL27663169 0.71 GAA (0.44) MAPK14RIPK2GAAMEN1KMT2A
SCHEMBL27663237 0.70 GAA (0.45) MAPK14RIPK2GAAMEN1KMT2A
SCHEMBL27642695 0.70 GAA (0.52) MAPK14GAAMEN1KMT2AALDH1A1
SCHEMBL3225729 0.69 MAPK14 (0.43) MAPK14MAP2K1ALDH1A1SMN1; SMN2
SCHEMBL6189876 0.68 MAPK14 (0.48) MAPK14ALDH1A1SMN1; SMN2
SCHEMBL6209656 0.66 GAA (0.43) MAPK14RIPK2GAAMEN1KMT2A
SCHEMBL31367847 0.64 MAPK14 (0.74) MAPK14RIPK2MEN1KMT2ASMN1; SMN2

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