SCHEMBL20501037

SCHEMBL20501037

CC(CF)n1cnnc1-c1cccc(N)n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 18/20 0.58
MAP3K7 O43318 2/20 0.42
MAP3K6 O95382 2/20 0.42
RET P07949 1/20 0.41
CDK2 P24941 1/20 0.41
ITK Q08881 1/20 0.41
MERTK Q12866 1/20 0.41
PRKAA1 Q13131 1/20 0.41
ROCK1 Q13464 1/20 0.41
MAP4K1 Q92918 2/20 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
SCHEMBL20501035 1.00 MAP3K5 (0.58) MAP3K5MAP3K7MAP3K6RETCDK2
SCHEMBL20523136 0.86 MAP3K5 (0.58) MAP3K5MAP3K7MAP3K6CDK2
SCHEMBL29217677 0.86 MAP3K5 (0.58) MAP3K5MAP3K7MAP3K6CDK2
SCHEMBL30269941 0.86 MAP3K5 (0.58) MAP3K5MAP3K7MAP3K6CDK2
SCHEMBL20523134 0.86 MAP3K5 (0.58) MAP3K5MAP3K7MAP3K6CDK2
SCHEMBL21715722 0.86 MAP3K5 (0.44) MAP3K5RETCDK2ITKMERTK
SCHEMBL15136088 0.84 MAP3K5 (0.56) MAP3K5MAP3K7MAP3K6RETCDK2
SCHEMBL29506348 0.84 MAP3K5 (0.56) MAP3K5MAP3K7MAP3K6RETCDK2
SCHEMBL23064273 0.84 MAP3K5 (0.52) MAP3K5MAP3K7MAP3K6MAP4K1
SCHEMBL20802747 0.84 MAP3K5 (0.60) MAP3K5MAP3K7MAP3K6CDK2

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-2018169742-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBTOR GILEAD SCIENCES, INC. (US) 2018-09-20 WO disclosed