SCHEMBL16712434

SCHEMBL16712434

CC(C(O)C(F)(F)F)n1cnnc1-c1cc(NC(=O)c2cc(-c3nc(C4CC4)c[nH]3)ccn2)cs1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 20/20 0.44
AKT1 P31749 5/20 0.40

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
SCHEMBL233837 0.83 MAP3K5 (0.63) MAP3K5AKT1
SCHEMBL231489 0.75 MAP3K5 (0.65) MAP3K5AKT1
SCHEMBL231490 0.75 MAP3K5 (0.65) MAP3K5AKT1
SCHEMBL231864 0.74 MAP3K5 (0.67) MAP3K5AKT1
SCHEMBL231878 0.74 MAP3K5 (0.68) MAP3K5AKT1
SCHEMBL231879 0.74 MAP3K5 (0.68) MAP3K5AKT1
SCHEMBL16712435 0.72 MAP3K5 (0.45) MAP3K5AKT1
SCHEMBL232907 0.71 MAP3K5 (0.64) MAP3K5AKT1
SCHEMBL232728 0.71 MAP3K5 (0.53) MAP3K5AKT1
SCHEMBL235423 0.69 MAP3K5 (0.48) 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