SCHEMBL23721070

SCHEMBL23721070

C#C/C(=C\C(=C/C)c1nncn1C1CC1)NC(=O)c1cc(-c2cnc(C3CC3)c(Cl)c2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 11/20 0.35
▸ AKT1 P31749 3/20 0.31
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL947106 0.72 MAP3K5 (0.65) MAP3K5AKT1
SCHEMBL23721179 0.67 CBLB (0.35) MAP3K5
SCHEMBL16848415 0.65 MAP3K5 (0.65) MAP3K5
SCHEMBL22739206 0.64 MAP3K5 (0.48) MAP3K5
SCHEMBL23720730 0.64 MAP3K5 (0.36) MAP3K5
SCHEMBL942523 0.63 MAP3K5 (0.64) MAP3K5
SCHEMBL945130 0.62 MAP3K5 (0.58) MAP3K5
SCHEMBL23721196 0.62 MAP3K5 (0.34) MAP3K5
SCHEMBL944011 0.61 MAP3K5 (0.55) MAP3K5AKT1
SCHEMBL23720983 0.60 MAP3K5 (0.32) MAP3K5

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
EP-3858824-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS Gilead Sciences, Inc. (US) 2021-08-04 — — EP disclosed
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