SCHEMBL5259886

SCHEMBL5259886

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PDE5A O76074 3/20 0.39
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GAK O14976 3/20 0.35
▸ EGFR P00533 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ PDE1B Q01064 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL5258158 0.86 GAA (0.40) HPGDKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL7268690 0.79 PDE1B (0.57) HPGDKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL7262638 0.79 SMN1; SMN2 (0.45) HPGDKDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL5263213 0.79 DHPS (0.49) PDE5AEGFRLMNATP53MAPT
SCHEMBL7267812 0.78 PIK3CA (0.47) HPGDKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL7262666 0.75 PDE5A (0.38) HPGDKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL15966833 0.73 ALDH1A1 (0.49) HPGDGAASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7261585 0.73 CYP1A2 (0.50) KDM4EGAASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL7797438 0.73 PDE5A (0.50) HPGDKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL5261050 0.70 WHR1 (0.49) KDM4EEGFRNPSR1IDO1TDO2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040101-B1 SUBSTITUTED 2-ARYL-4-AMINO-CHINAZOLINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-04-25 — — EP disclosed
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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