SCHEMBL4756543

SCHEMBL4756543

CC(=O)Nc1cccc(OC(=O)c2ccc3nc(N)[nH]c(=O)c3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.45
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
MAPK14 Q16539 3/20 0.44
GAA P10253 4/20 0.43
KDM4E B2RXH2 4/20 0.43
CRHBP P24387 1/20 0.43
HTT P42858 1/20 0.43
CRHR2 Q13324 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 2/20 0.43
DHFR P00374 1/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41

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
SCHEMBL13984109 0.84 QTRT1 (0.52) TYMSMAPTMAPK14KDM4EDHFR
SCHEMBL4756577 0.82 MAPT (0.47) MAPTPOLBGAAKDM4ECRHBP
SCHEMBL4753487 0.78 TNKS (0.51) TYMSMAPK14GAAKDM4EHTT
SCHEMBL4753842 0.76 TYMS (0.44) TYMSMAPK14KDM4EHTTDHFR
SCHEMBL4753204 0.76 TYMS (0.50) TYMSMAPTMAPK14KDM4EDHFR
SCHEMBL4755097 0.75 TYMS (0.44) TYMSMAPTPOLBMAPK14KDM4E
SCHEMBL13983986 0.73 GAA (0.52) MAPTPOLBGAAKDM4ECRHBP
SCHEMBL4753152 0.71 QTRT1 (0.56) TYMSMAPK14KDM4ETDP1DHFR
SCHEMBL4753332 0.70 KMT2A (0.52) MAPTGAAKDM4EKMT2AMEN1
SCHEMBL15195122 0.69 KMT2A (0.62) MAPTPOLBGAAKDM4ECRHBP

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 3 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 claimed
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