SCHEMBL4729579

SCHEMBL4729579

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)NCc3cccc(C)n3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.40
RAF1 P04049 8/20 0.39
BRAF P15056 7/20 0.39
TRPV1 Q8NER1 2/20 0.37
POLQ O75417 1/20 0.36
GRM5 P41594 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CTSC P53634 1/20 0.35
BTK Q06187 1/20 0.34
ADORA2A P29274 1/20 0.34

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) MAPK14RAF1BRAFTRPV1POLQ
SCHEMBL4730324 0.87 MAPK14 (0.42) MAPK14RAF1BRAFTRPV1POLQ
SCHEMBL4782260 0.86 MEN1 (0.51) MAPK14
SCHEMBL4725981 0.85 MAPK14 (0.42) MAPK14RAF1BRAFTRPV1POLQ
SCHEMBL4726042 0.85 MAPK14 (0.42) MAPK14RAF1BRAFTRPV1
SCHEMBL4729575 0.84 MAPK14 (0.40) MAPK14RAF1BRAFTRPV1
SCHEMBL4727823 0.84 MAPK14 (0.45) MAPK14RAF1BRAFTRPV1
SCHEMBL4728370 0.84 MAPK14 (0.45) MAPK14RAF1BRAFTRPV1POLQ
SCHEMBL4729144 0.84 MAPK14 (0.41) MAPK14RAF1BRAFTRPV1POLQ
SCHEMBL4725952 0.84 RAF1 (0.41) RAF1BRAFTRPV1

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