SCHEMBL16712435

SCHEMBL16712435

O=C(Nc1csc(-c2nncn2C2CC2)c1)c1cc(-c2nc(-c3ccccn3)c[nH]2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 18/20 0.45
CBLB Q13191 1/20 0.37
USP30 Q70CQ3 1/20 0.36
AKT1 P31749 5/20 0.36
MYLK Q15746 1/20 0.36

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
SCHEMBL233574 0.83 MAP3K5 (0.53) MAP3K5CBLBUSP30AKT1
SCHEMBL232935 0.82 MAP3K5 (0.60) MAP3K5AKT1
SCHEMBL235423 0.81 MAP3K5 (0.48) MAP3K5CBLBAKT1
SCHEMBL232728 0.79 MAP3K5 (0.53) MAP3K5AKT1
SCHEMBL234917 0.78 MAP3K5 (0.50) MAP3K5CBLBMYLK
SCHEMBL235196 0.78 MAP3K5 (0.48) MAP3K5CBLBAKT1
SCHEMBL230573 0.73 MAP3K5 (0.62) MAP3K5AKT1MYLK
SCHEMBL232980 0.73 MAP3K5 (0.74) MAP3K5AKT1
SCHEMBL16712434 0.72 MAP3K5 (0.44) MAP3K5AKT1
SCHEMBL233804 0.72 MAP3K5 (0.59) 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-2588475-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2015-05-20 EP disclosed