SCHEMBL23720730

SCHEMBL23720730

C=C(/C=C\C=C(/C)c1nncn1C1CC1)NC(=O)c1cc(-c2ccc(O)nc2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.30
▸ CBLB Q13191 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
SCHEMBL23721197 0.86 CBLB (0.31) MAP3K5CBLB
SCHEMBL22739074 0.79 MAP3K5 (0.43) MAP3K5
SCHEMBL22739085 0.76 MAP3K5 (0.30) MAP3K5
SCHEMBL23721196 0.73 MAP3K5 (0.34) MAP3K5CBLB
SCHEMBL22739290 0.71 EGFR (0.33) —
SCHEMBL22739020 0.71 — —
SCHEMBL945922 0.70 MAP3K5 (0.66) MAP3K5CBLB
SCHEMBL23721179 0.68 CBLB (0.35) MAP3K5CBLB
SCHEMBL23721303 0.67 PIK3C3 (0.42) MAP3K5PIK3C3
SCHEMBL14681924 0.66 MAP3K5 (0.60) MAP3K5CBLB

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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