SCHEMBL18673488

SCHEMBL18673488

CNc1nc2c(s1)c(C(=O)Nc1cc(C#C[C@]3(O)CCN(C)C3=O)cc(-c3nc(C(N)=O)c(N)s3)c1)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.75
▸ PKD1 P98161 1/20 0.53

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
SCHEMBL16532413 0.86 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16532282 0.79 MAP3K14 (1.00) MAP3K14
SCHEMBL18883238 0.78 MAP3K14 (0.83) MAP3K14PKD1
SCHEMBL16550397 0.78 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16532299 0.78 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL18039305 0.75 MAP3K14 (0.82) MAP3K14
SCHEMBL18673487 0.73 MAP3K14 (0.83) MAP3K14
SCHEMBL16517244 0.73 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16534142 0.73 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL18039543 0.72 MAP3K14 (0.57) 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
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — US disclosed
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