SCHEMBL5794081

SCHEMBL5794081

CN(C)C=C(C#N)C(=O)c1cccc(OCc2ccccc2)c1.Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(OCc3ccccc3)c2)c1N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.44
MAPK11 Q15759 3/20 0.44
RIPK2 O43353 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HPGD P15428 1/20 0.41
GUSB P08236 1/20 0.38
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
BTK Q06187 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 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
SCHEMBL1382984 0.90 MAPK14 (0.53) MAPK14MAPK11RIPK2AXLMERTK
SCHEMBL1417180 0.82 MAPK14 (0.56) MAPK14MAPK11HPGD
SCHEMBL1417048 0.82 MAPK14 (0.47) MAPK14MAPK11RIPK2BTKALDH1A1
SCHEMBL1417219 0.81 HPGD (0.54) MAPK14MAPK11RIPK2HPGD
SCHEMBL1416992 0.81 MAPK14 (0.49) MAPK14MAPK11HPGDBTK
SCHEMBL1417099 0.81 MAPK14 (0.50) MAPK14MAPK11HPGDBTK
SCHEMBL1385955 0.80 MAPK14 (0.51) MAPK14MAPK11HPGD
SCHEMBL1417233 0.79 MAPK14 (0.50) MAPK14MAPK11HPGD
SCHEMBL1385285 0.79 MAPK14 (0.54) MAPK14MAPK11RIPK2ALDH1A1TSHR
SCHEMBL12936145 0.78 MAPK14 (0.53) MAPK14MAPK11RIPK2

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-1641764-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS Novartis AG (CH) 2006-04-05 EP disclosed
WO-2005009973-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-03 WO disclosed