SCHEMBL11240874

SCHEMBL11240874

COc1cc2nc(N3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)nc(N)c2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.60
ADRA1A P35348 3/20 0.60
ADRA1B P35368 3/20 0.60
ADRA2A P08913 2/20 0.60
ADRA2B P18089 2/20 0.60
ADRA2C P18825 2/20 0.60
KCNH2 Q12809 2/20 0.60
DRD3 P35462 1/20 0.60
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 3/20 0.59
GLA P06280 2/20 0.59
HSD17B10 Q99714 2/20 0.59
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
SLC22A1 O15245 1/20 0.59
ABCC4 O15439 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59

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
SCHEMBL3453702 0.82 KDM4E (0.56) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL14369110 0.82 ADRA1A (0.70) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7794600 0.82 ADRA1A (0.64) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL11568720 0.81 KDM4E (0.55) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL11574238 0.81 KDM4E (0.56) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7797849 0.81 ADRA1A (0.63) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7787706 0.80 KDM4E (0.73) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL31187488 0.80 KDM4E (0.82) ADRA1AADRA1BKDM4EALDH1A1HPGD
SCHEMBL11082909 0.79 ADRA1A (0.64) ADRA1AADRA1B
SCHEMBL11776489 0.79 ADRA1A (0.66) ADRA1DADRA1AADRA1BADRA2AADRA2B

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 8 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
US-4230706-A Antihypertensive quinazoline compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-10-28 US claimed
EP-0004389-A2 4-Amino-6,7-dimethoxy quinazoline derivatives, process for their preparation, their use and a pharmaceutical composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-10-03 EP claimed
JP-54128581-A None JP 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
US-4230706-A Antihypertensive quinazoline compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-10-28 US disclosed
JP-S54128581-A NOVEL QUINAZOLINE DERIVATIVE AND ITS PREPARATION SUMITOMO CHEM CO LTD 1979-10-05 JP disclosed
EP-0004389-A2 4-Amino-6,7-dimethoxy quinazoline derivatives, process for their preparation, their use and a pharmaceutical composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-10-03 EP disclosed