SCHEMBL23721029

SCHEMBL23721029

NC(=O)c1cncc(-c2ccnc(C(=O)NC3=CC(c4nncn4C4CC4)=CCC=C3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 17/20 0.40
▸ KCNH2 Q12809 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ MYLK Q15746 1/20 0.31
▸ AKT1 P31749 4/20 0.31

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
SCHEMBL22739076 0.82 MAP3K5 (0.40) MAP3K5AKT1
SCHEMBL22738967 0.80 MAP3K5 (0.45) MAP3K5MYLK
SCHEMBL947535 0.80 MAP3K5 (0.60) MAP3K5
SCHEMBL22738980 0.71 MAP3K5 (0.41) MAP3K5AKT1
SCHEMBL946344 0.69 MAP3K5 (0.57) MAP3K5
SCHEMBL22738975 0.69 MAP3K5 (0.42) MAP3K5MYLKAKT1
SCHEMBL945480 0.69 MAP3K5 (0.62) MAP3K5MYLK
SCHEMBL22739190 0.69 MAP3K5 (0.39) MAP3K5AKT1
SCHEMBL945351 0.68 MAP3K5 (0.62) MAP3K5MYLK
SCHEMBL946361 0.68 MAP3K5 (0.53) MAP3K5MYLK

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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