SCHEMBL7262666

SCHEMBL7262666

COc1cc2c(NCCN(C(C)C)C(C)C)nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 11/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ MCHR1 Q99705 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDR P35968 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33

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
Hydrochloric Acid SCHEMBL7266384 0.83 PDE5A (0.46) PDE5AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7261585 0.75 CYP1A2 (0.50) PDE5AKDM4EALDH1A1HSD17B10ALOX15
SCHEMBL5259886 0.75 HPGD (0.40) PDE5AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7268690 0.74 PDE1B (0.57) PDE5AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5258158 0.74 GAA (0.40) PDE5AKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7266371 0.69 POLB (0.47) KDM4EALDH1A1
SCHEMBL7268662 0.68 RAD52 (0.51) KDM4EALDH1A1
SCHEMBL7268608 0.68 PDE5A (0.51) PDE5A
SCHEMBL7266347 0.68 MEN1 (0.53) PDE5AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7262638 0.67 SMN1; SMN2 (0.45) KDM4EALDH1A1HPGDALOX15SMN1; SMN2

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
US-6613772-B1 Drugs such as 2-(p-chlorophenyl-4-(4-hydroxybutyl)amino-6,7,8 -trimethoxyquinazoline used for activation of guanylate cyclase and modulation of cyclic guanosine monophosphate AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-02 — — US disclosed
EP-1040101-A1 SUBSTITUTED 2-ARYL-4-AMINO-CHINAZOLINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2000-10-04 — — EP disclosed
WO-1999032460-A1 SUBSTITUTED 2-ARYL-4-AMINO-CHINAZOLINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-01 — — WO disclosed
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