SCHEMBL9872844

SCHEMBL9872844

CSc1ccc2c(c1)-c1c(nc(N)[nH]c1=O)CC2.Cc1cccc2c1CCc1nc(N)[nH]c(=O)c1-2

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 20/20 0.78

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
SCHEMBL6652351 0.89 TYMS (1.00) TYMS
SCHEMBL6649272 0.85 TYMS (1.00) TYMS
SCHEMBL6650166 0.77 TYMS (1.00) TYMS
SCHEMBL6652594 0.76 TYMS (1.00) TYMS
SCHEMBL6653086 0.73 TYMS (1.00) TYMS
SCHEMBL6648263 0.73 TYMS (1.00) TYMS
SCHEMBL6651743 0.71 TYMS (1.00) TYMS
SCHEMBL6650576 0.71 TYMS (1.00) TYMS
SCHEMBL6650986 0.71 TYMS (1.00) TYMS
SCHEMBL6651973 0.71 TYMS (1.00) TYMS

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
WO-1991019700-A1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-26 — — WO disclosed
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