SCHEMBL4753152

SCHEMBL4753152

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QTRT1 Q9BXR0 1/20 0.56
MAPK14 Q16539 1/20 0.52
KDM4E B2RXH2 1/20 0.50
RECQL P46063 1/20 0.50
DHFR P00374 3/20 0.49
TYMS P04818 10/20 0.49
ABL1 P00519 1/20 0.49
FABP6 P51161 1/20 0.49
HSP90AA1 P07900 1/20 0.46
ESR2 Q92731 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CSNK2A1 P68400 1/20 0.46
PARP1 P09874 1/20 0.45

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
SCHEMBL4753487 0.84 TNKS (0.51) QTRT1MAPK14KDM4EDHFRTYMS
SCHEMBL30864305 0.81 TDP1 (0.67) KDM4ERECQLTYMSHSP90AA1ESR2
SCHEMBL13984109 0.81 QTRT1 (0.52) QTRT1MAPK14KDM4EDHFRTYMS
SCHEMBL4755403 0.80 TYMS (0.72) QTRT1TYMSPARP1
SCHEMBL1261208 0.80 ABL1 (0.72) ABL1FABP6HSP90AA1ESR2TDP1
SCHEMBL30249625 0.80 TYMS (0.71) QTRT1TYMSPARP1
SCHEMBL4311562 0.80 TYMS (0.71) QTRT1TYMSPARP1
SCHEMBL409345 0.79 DHFR (0.60) DHFRTYMS
Hydrochloric Acid SCHEMBL4682535 0.79 ABL1 (0.70) ABL1FABP6HSP90AA1ESR2TDP1
SCHEMBL11375410 0.78 GUSB (0.49) KDM4ERECQLTDP1PARP1

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