SCHEMBL4755403

SCHEMBL4755403

Nc1nc2ccc(O)cc2c(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMS P04818 16/20 0.72
QTRT1 Q9BXR0 1/20 0.59
PLAU P00749 1/20 0.59
PARP1 P09874 1/20 0.51
GUSB P08236 1/20 0.46

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
SCHEMBL6647987 0.84 TYMS (1.00) TYMS
SCHEMBL4311562 0.82 TYMS (0.71) TYMSQTRT1PARP1
SCHEMBL30249625 0.82 TYMS (0.71) TYMSQTRT1PARP1
SCHEMBL4753152 0.80 QTRT1 (0.56) TYMSQTRT1PARP1
SCHEMBL28637729 0.79 KDM4E (0.62) TYMSPARP1GUSB
SCHEMBL10288872 0.79 TYMS (0.72) TYMSQTRT1PARP1
SCHEMBL29901695 0.79 KDM4E (0.62) TYMSPARP1GUSB
SCHEMBL3672857 0.79 TYMS (0.72) TYMSQTRT1PARP1
SCHEMBL29850802 0.79 TYMS (0.72) TYMSQTRT1PARP1
SCHEMBL14084807 0.79 QTRT1 (0.54) TYMSQTRT1

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-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO disclosed