SCHEMBL4727971

SCHEMBL4727971

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(C[C](C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.39
BRAF P15056 5/20 0.35
GSK3A P49840 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
MALT1 Q9UDY8 2/20 0.33
SGMS2 Q8NHU3 1/20 0.33
CACNA1H O95180 2/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL4413445 0.82 LMNA (0.44) MAPK14BRAFNR1H4
SCHEMBL4728370 0.81 MAPK14 (0.45) MAPK14BRAFTRPV1
SCHEMBL4727823 0.79 MAPK14 (0.45) MAPK14BRAFTRPV1
SCHEMBL5489688 0.79 BRAF (0.39) MAPK14BRAFGSK3A
SCHEMBL4728030 0.78 MAPK14 (0.42) MAPK14BRAFTRPV1
SCHEMBL4410752 0.78 NPC1 (0.46) MAPK14
SCHEMBL4730324 0.78 MAPK14 (0.42) MAPK14BRAFTRPV1
SCHEMBL4729989 0.77 MAPK14 (0.43) MAPK14BRAFTRPV1
SCHEMBL4565964 0.77 MAPK14 (0.42) MAPK14BRAF
SCHEMBL4725981 0.77 MAPK14 (0.42) MAPK14BRAFTRPV1

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