SCHEMBL22739099

SCHEMBL22739099

CC1C=C(c2nncn2C2CC2)C=C(NC(=O)c2cc(-c3ccc(C4CCC4)nc3)ccn2)C1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 20/20 0.43
▸ AKT1 P31749 9/20 0.38

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
SCHEMBL943740 0.80 MAP3K5 (0.67) MAP3K5
SCHEMBL944011 0.78 MAP3K5 (0.55) MAP3K5AKT1
SCHEMBL945361 0.78 MAP3K5 (0.67) MAP3K5
SCHEMBL945438 0.77 MAP3K5 (0.57) MAP3K5AKT1
SCHEMBL944497 0.76 MAP3K5 (0.67) MAP3K5
SCHEMBL947785 0.76 MAP3K5 (0.56) MAP3K5AKT1
SCHEMBL945209 0.76 MAP3K5 (0.71) MAP3K5AKT1
SCHEMBL22738980 0.76 MAP3K5 (0.41) MAP3K5AKT1
SCHEMBL945769 0.75 MAP3K5 (0.53) MAP3K5AKT1
SCHEMBL232728 0.75 MAP3K5 (0.53) MAP3K5AKT1

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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