SCHEMBL23721141

SCHEMBL23721141

C/C=N\C=C(/C)c1ccnc(C(=O)Nc2cc(-c3nncn3C3CC3)ccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 17/20 0.45
▸ AKT1 P31749 7/20 0.36
▸ CBLB Q13191 2/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.35

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
SCHEMBL23721207 0.82 MAP3K5 (0.45) MAP3K5
SCHEMBL22739302 0.77 MAP3K5 (0.56) MAP3K5CBLB
SCHEMBL946361 0.75 MAP3K5 (0.53) MAP3K5
SCHEMBL944011 0.74 MAP3K5 (0.55) MAP3K5AKT1
SCHEMBL12943387 0.73 MAP3K5 (0.45) MAP3K5PIK3C3
SCHEMBL23720763 0.73 MAP3K5 (0.37) MAP3K5AKT1CBLB
SCHEMBL22738977 0.70 MAP3K5 (0.58) MAP3K5CBLB
SCHEMBL943988 0.68 MAP3K5 (0.69) MAP3K5CBLB
SCHEMBL945572 0.68 MAP3K5 (0.68) MAP3K5CBLB
SCHEMBL935947 0.67 MAP3K5 (0.64) MAP3K5CBLBPIK3C3

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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