SCHEMBL7268529

SCHEMBL7268529

COc1cc2nc(-c3ccc(Cl)cc3)nc(NCCCn3ccnc3)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
QPCT Q16769 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 3/20 0.47
TLR9 Q9NR96 1/20 0.47
GAA P10253 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
KDR P35968 1/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
CLK1 P49759 1/20 0.47

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
SCHEMBL7262631 0.87 GSK3A (0.52) GSK3AGSK3BQPCTSMN1; SMN2ALDH1A1
SCHEMBL3976448 0.81 GSK3A (0.76) GSK3AGSK3BQPCTSMN1; SMN2ALDH1A1
SCHEMBL7262644 0.81 MEN1 (0.71) ALDH1A1KDM4EMAPTMAPK1MEN1
SCHEMBL7262687 0.81 MEN1 (0.65) SMN1; SMN2ALDH1A1KDM4EMAPTMAPK1
SCHEMBL3978895 0.81 GSK3A (0.79) GSK3AGSK3BQPCTSMN1; SMN2ALDH1A1
SCHEMBL7267768 0.79 MEN1 (0.60) ALDH1A1KDM4EMAPTMAPK1MEN1
SCHEMBL7262660 0.79 HTT (0.68) ALDH1A1KDM4EMAPTMAPK1MEN1
SCHEMBL7262661 0.78 PGK1 (0.61) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL7261431 0.75 HTT (0.56) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
Hydrochloric Acid SCHEMBL7266371 0.74 POLB (0.47) ALDH1A1KDM4EMAPTMAPK1MEN1

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