SCHEMBL4782260

SCHEMBL4782260

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)NCc3cccnc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 4/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 1/20 0.49
MAPK14 Q16539 4/20 0.46
NAMPT P43490 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4728030 0.87 MAPK14 (0.42) MAPTMAPK14SMN1; SMN2
SCHEMBL4730324 0.87 MAPK14 (0.42) MAPK14
SCHEMBL4729579 0.86 MAPK14 (0.40) MAPK14
SCHEMBL4726042 0.85 MAPK14 (0.42) ALDH1A1MAPK14L3MBTL1NPSR1HPGD
SCHEMBL4725981 0.85 MAPK14 (0.42) MAPK14
SCHEMBL4782257 0.84 MAPK14 (0.44) MAPK14MAPK1
SCHEMBL4728370 0.84 MAPK14 (0.45) MAPK14
SCHEMBL4727823 0.84 MAPK14 (0.45) MAPK14
SCHEMBL4729144 0.84 MAPK14 (0.41) MAPK14
SCHEMBL4729989 0.84 MAPK14 (0.43) MAPTMAPK14SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed