SCHEMBL6652367

SCHEMBL6652367

COc1cccc2c1CCc1nc(N)[nH]c(=O)c1-2

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 20/20 0.71

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
Hydrochloric Acid SCHEMBL6842081 0.99 TYMS (0.70) TYMS
SCHEMBL6649272 0.83 TYMS (1.00) TYMS
SCHEMBL6650576 0.81 TYMS (1.00) TYMS
SCHEMBL6648029 0.81 TYMS (0.72) TYMS
SCHEMBL6651743 0.81 TYMS (1.00) TYMS
SCHEMBL6648263 0.74 TYMS (1.00) TYMS
SCHEMBL6652286 0.72 TYMS (1.00) TYMS
SCHEMBL4739962 0.72 TYMS (0.82) TYMS
Hydrochloric Acid SCHEMBL6844303 0.72 TYMS (0.98) TYMS
Hydrochloric Acid SCHEMBL6648356 0.72 TYMS (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1199307-B1 Pharmaceutically active benzoquinazoline compounds WELLCOME FOUND (GB) 2004-02-25 — — EP disclosed
EP-1199307-A1 Pharmaceutically active benzoquinazoline compounds THE WELLCOME FOUNDATION LIMITED (GB) 2002-04-24 — — EP disclosed
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