SCHEMBL4755097

SCHEMBL4755097

COc1cc(OC(=O)c2ccc3nc(N)[nH]c(=O)c3c2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ESR1 P03372 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
DHFR P00374 4/20 0.41
MAPK14 Q16539 1/20 0.41
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
QTRT1 Q9BXR0 1/20 0.39
FPGS Q05932 1/20 0.39

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 0.83 QTRT1 (0.52) TYMSKMT2AMEN1KDM4EHSD17B10
SCHEMBL4753842 0.82 TYMS (0.44) TYMSKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL4753487 0.81 TNKS (0.51) TYMSKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL4755224 0.81 DHFR (0.52) KMT2AMEN1DHFR
SCHEMBL4753204 0.79 TYMS (0.50) TYMSKMT2AMEN1KDM4EHSD17B10
SCHEMBL4756543 0.75 TYMS (0.45) TYMSKMT2AMEN1KDM4EHSD17B10
SCHEMBL13983986 0.74 GAA (0.52) KMT2AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL4753152 0.74 QTRT1 (0.56) TYMSKDM4EDHFRMAPK14QTRT1
SCHEMBL2216111 0.73 TUBB1 (0.67) KMT2AMEN1ALDH1A1TSHRSMN1; SMN2
SCHEMBL2117452 0.71 KDM4E (0.54) TYMSKMT2AMEN1KDM4EHSD17B10

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