SCHEMBL16712436

SCHEMBL16712436

CC1(C)C[C@@H]1n1cnnc1-c1ccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)s1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.56

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
SCHEMBL233495 0.88 MAP3K5 (0.60) MAP3K5
SCHEMBL231009 0.88 MAP3K5 (0.60) MAP3K5
SCHEMBL231010 0.88 MAP3K5 (0.60) MAP3K5
SCHEMBL232980 0.77 MAP3K5 (0.74) MAP3K5
SCHEMBL231900 0.73 MAP3K5 (0.71) MAP3K5
SCHEMBL29473528 0.72 MAP3K5 (1.00) MAP3K5
SCHEMBL945002 0.72 MAP3K5 (0.74) MAP3K5
SCHEMBL945832 0.72 MAP3K5 (1.00) MAP3K5
SCHEMBL231879 0.71 MAP3K5 (0.68) MAP3K5
SCHEMBL231878 0.71 MAP3K5 (0.68) 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-2588475-B1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES INC (US) 2015-05-20 EP claimed