SCHEMBL22738980

SCHEMBL22738980

Nc1ccc(-c2ccnc(C(=O)NC3=CC(c4nncn4C4CC4)=CCC3)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 13/20 0.41
▸ GSK3B P49841 1/20 0.35
▸ ABL1 P00519 3/20 0.35
▸ TNF P01375 2/20 0.34
▸ CLK2 P49760 1/20 0.33
▸ CLK3 P49761 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ AKT1 P31749 4/20 0.33

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
SCHEMBL944241 0.80 MAP3K5 (0.62) MAP3K5TNF
SCHEMBL23720763 0.76 MAP3K5 (0.37) MAP3K5TNFAKT1
SCHEMBL22739099 0.76 MAP3K5 (0.43) MAP3K5AKT1
SCHEMBL22739036 0.75 MAP3K5 (0.39) MAP3K5ABL1AKT1
SCHEMBL935947 0.72 MAP3K5 (0.64) MAP3K5TNF
SCHEMBL22739076 0.72 MAP3K5 (0.40) MAP3K5TNFAKT1
SCHEMBL945883 0.72 MAP3K5 (0.62) MAP3K5GSK3B
SCHEMBL23721029 0.71 MAP3K5 (0.40) MAP3K5AKT1
SCHEMBL944011 0.71 MAP3K5 (0.55) MAP3K5AKT1
SCHEMBL14553730 0.71 MAP3K5 (0.62) 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-3363797-B1 ORAL DOSAGE FORM OF APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2020-12-02 — — EP disclosed
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