SCHEMBL16532401

SCHEMBL16532401

CN1CCC(O)(C#Cc2cccc(-c3nc(C(N)=O)n4ccc(OC5CCC5)cc34)c2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 1.00

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
SCHEMBL16516762 1.00 MAP3K14 (1.00) MAP3K14
SCHEMBL16516541 0.94 MAP3K14 (0.89) MAP3K14
SCHEMBL16516922 0.94 MAP3K14 (0.89) MAP3K14
SCHEMBL16534059 0.93 MAP3K14 (0.86) MAP3K14
SCHEMBL16532614 0.90 MAP3K14 (1.00) MAP3K14
SCHEMBL16517423 0.87 MAP3K14 (1.00) MAP3K14
SCHEMBL16516397 0.85 MAP3K14 (1.00) MAP3K14
SCHEMBL16532396 0.85 MAP3K14 (1.00) MAP3K14
SCHEMBL16532663 0.85 MAP3K14 (1.00) MAP3K14
SCHEMBL18883249 0.85 MAP3K14 (0.86) MAP3K14

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
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
Send feedback