SCHEMBL16516429

SCHEMBL16516429

CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(=O)O)c4cnc(C5CC5)nc43)c2)C1=O

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.87
▸ PKD1 P98161 1/20 0.61

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
SCHEMBL16517271 0.93 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16534132 0.93 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16532605 0.90 MAP3K14 (0.80) MAP3K14PKD1
SCHEMBL16517459 0.86 MAP3K14 (0.86) MAP3K14PKD1
SCHEMBL16516804 0.82 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16516802 0.82 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16516628 0.82 MAP3K14 (0.86) MAP3K14
SCHEMBL16517296 0.81 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16517294 0.81 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL17912264 0.80 MAP3K14 (0.85) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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