SCHEMBL18673456

SCHEMBL18673456

CN1CCCC(C#Cc2cc(Cl)cc(-n3nc(C(N)=O)c4cccnc43)c2)C1=O

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.67
▸ PKD1 P98161 2/20 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
SCHEMBL18673383 0.90 MAP3K14 (0.54) MAP3K14PKD1
SCHEMBL18888203 0.90 MAP3K14 (0.54) MAP3K14PKD1
SCHEMBL16517349 0.80 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16532276 0.80 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16547245 0.79 MAP3K14 (0.85) MAP3K14PKD1
SCHEMBL16516788 0.74 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16516785 0.74 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16517462 0.73 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16516412 0.73 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16516416 0.73 MAP3K14 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — US disclosed
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