SCHEMBL16517110

SCHEMBL16517110

COc1cc(C#C[C@]2(O)CCN(C)C2=O)cc(NC(=O)c2n[nH]c3ncccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 20/20 0.58
PKD1 P98161 2/20 0.46

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
SCHEMBL18039672 0.90 MAP3K14 (0.56) MAP3K14PKD1
SCHEMBL18039369 0.89 MAP3K14 (0.58) MAP3K14PKD1
SCHEMBL18039310 0.87 MAP3K14 (0.58) MAP3K14PKD1
SCHEMBL16517526 0.83 MAP3K14 (0.57) MAP3K14PKD1
SCHEMBL18039608 0.80 MAP3K14 (0.54) MAP3K14PKD1
SCHEMBL18039449 0.79 MAP3K14 (0.56) MAP3K14PKD1
SCHEMBL18039489 0.79 MAP3K14 (0.56) MAP3K14PKD1
SCHEMBL18039313 0.79 MAP3K14 (0.57) MAP3K14PKD1
SCHEMBL18039321 0.78 MAP3K14 (0.58) MAP3K14PKD1
SCHEMBL18039351 0.78 MAP3K14 (0.57) MAP3K14PKD1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3262035-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2018-01-03 EP disclosed
WO-2016135163-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2016-09-01 WO disclosed
EP-3036230-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 EP disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 WO disclosed