SCHEMBL18673383

SCHEMBL18673383

COC(=O)c1nn(-c2cc(Cl)cc(C#C[C@H]3CCCN(C)C3=O)c2)c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 18/20 0.54
▸ PKD1 P98161 2/20 0.45
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL18888203 1.00 MAP3K14 (0.54) MAP3K14PKD1MEN1KMT2A
SCHEMBL18673456 0.90 MAP3K14 (0.67) MAP3K14PKD1
SCHEMBL16532371 0.81 MAP3K14 (0.82) MAP3K14PKD1
SCHEMBL18673457 0.78 MAP3K14 (0.59) MAP3K14PKD1
SCHEMBL16532694 0.75 MAP3K14 (0.82) MAP3K14PKD1
SCHEMBL16532432 0.74 MAP3K14 (0.83) MAP3K14PKD1
SCHEMBL16532501 0.74 MAP3K14 (0.83) MAP3K14PKD1
SCHEMBL16532372 0.73 MAP3K14 (0.44) MAP3K14MEN1KMT2A
SCHEMBL16532531 0.73 MAP3K14 (0.83) MAP3K14PKD1
SCHEMBL16532587 0.72 MAP3K14 (0.69) 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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