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Sugi Predict / Compounds / SCHEMBL14467014

SCHEMBL14467014

SCHEMBL14467014

CN(C)C(=O)C(=O)c1cn(C)c2cc(Cl)c(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)cc12

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 19/20 0.58
▸ MAPK11 Q15759 2/20 0.58
▸ MAPK13 O15264 1/20 0.58
▸ MAPK12 P53778 1/20 0.58
▸ NQO2 P16083 1/20 0.58
▸ MAPKAPK2 P49137 1/20 0.58
▸ ACTR2 P61160 1/20 0.58
▸ EPHX2 P34913 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
SCHEMBL5317983 0.88 ADRB2 (0.46) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5201214 0.84 MAPK14 (0.73) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL31046795 0.84 MAPK14 (0.73) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5201395 0.78 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL1810732 0.78 PSEN1 (0.55) EPHX2
SCHEMBL5323864 0.78 MAPK14 (0.49) MAPK14EPHX2
SCHEMBL1810470 0.78 PSEN1 (0.51) EPHX2
SCHEMBL5204563 0.77 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5202271 0.77 MAPK14 (0.66) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5201377 0.77 MAPK14 (0.63) MAPK14MAPK11MAPK13MAPK12NQO2

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-2007082079-A2 PIPERIDINE AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 — — WO disclosed