SCHEMBL22738993

SCHEMBL22738993

C=C/C=N\C=C(/CC)c1ccnc(C(=O)Nc2cccc(-c3nncn3CC3CC3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 3/20 0.42
▸ CBLB Q13191 17/20 0.39

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
SCHEMBL947538 0.76 MAP3K5 (0.48) MAP3K5CBLB
SCHEMBL945176 0.72 MAP3K5 (0.76) MAP3K5
SCHEMBL14482006 0.70 MAP3K5 (0.41) MAP3K5CBLB
SCHEMBL14681926 0.68 MAP3K5 (0.54) MAP3K5CBLB
SCHEMBL12946065 0.67 MAP3K5 (0.77) MAP3K5
SCHEMBL22739302 0.66 MAP3K5 (0.56) MAP3K5CBLB
SCHEMBL23720984 0.66 IRAK4 (0.47) MAP3K5CBLB
SCHEMBL12943417 0.66 MAP3K5 (0.52) MAP3K5CBLB
SCHEMBL945007 0.66 MAP3K5 (0.52) MAP3K5CBLB
SCHEMBL15408426 0.65 RIPK2 (0.47) —

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-3363797-B1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-12-02 — — EP disclosed
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