SCHEMBL11248049

SCHEMBL11248049

COc1cc2cnc(N3CCN(C(=O)C45COC6CC(CC64)C5)CC3)nc2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
GLA P06280 4/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 3/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
MAPK1 P28482 2/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
DRD1 P21728 2/20 0.39
OPRM1 P35372 2/20 0.39
OPRK1 P41145 2/20 0.39
KCNH2 Q12809 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
SLC22A1 O15245 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
SCHEMBL11241887 0.93 KDM4E (0.40) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL3453702 0.85 KDM4E (0.56) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL11570772 0.78 KDM4E (0.56) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL11574238 0.77 KDM4E (0.56) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL11252736 0.72 KDM4E (0.46) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL11570132 0.71 KDM4E (0.57) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL11241401 0.69 ADRA1D (0.43) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL8810668 0.69 LMNA (0.56) ALDH1A1HPGDGAATP53TSHR
SCHEMBL13483289 0.68 ALDH1A1 (0.69) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL11253598 0.67 KDM4E (0.42) KDM4EALDH1A1HPGDGLAHSD17B10

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
EP-0004389-B1 4-AMINO-6,7-DIMETHOXY QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND A PHARMACEUTICAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-07 EP claimed
EP-0088932-A1 Heat resistant hot melt adhesives National Starch and Chemical Corporation (US) 1983-09-21 EP disclosed
EP-0004389-B1 4-AMINO-6,7-DIMETHOXY QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND A PHARMACEUTICAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-04-07 EP disclosed