SCHEMBL7252896

SCHEMBL7252896

CCCN(CCC)c1nc(-c2ccc(Cl)cc2)nc2cc(OC)c(OC)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CRHR1 P34998 2/20 0.48
WHR1 P49842 1/20 0.45
EGFR P00533 2/20 0.44
CSF1R P07333 2/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE1B Q01064 1/20 0.42
KDM1A O60341 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
KDM4E B2RXH2 1/20 0.40
STAT6 P42226 1/20 0.40
ADRA1D P25100 1/20 0.40

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
SCHEMBL7261991 0.91 KMT2A (0.69) MEN1KMT2ACRHR1WHR1EGFR
SCHEMBL7268508 0.85 EGFR (0.52) MEN1KMT2AWHR1EGFRCSF1R
SCHEMBL7261425 0.84 PDE1B (0.60) MEN1KMT2ACRHR1EGFRLMNA
SCHEMBL7261412 0.81 KMT2A (0.46) MEN1KMT2AWHR1EGFRCSF1R
SCHEMBL5258591 0.78 WHR1 (0.55) MEN1KMT2AWHR1EGFRCSF1R
SCHEMBL5258730 0.76 WHR1 (0.52) MEN1KMT2AWHR1EGFRCSF1R
SCHEMBL3972107 0.74 LATS1 (0.50) WHR1EGFRLMNAKDM1ANPSR1
SCHEMBL1084322 0.72 CYP1A2 (0.52) KMT2AWHR1LMNAKDM1ANPSR1
SCHEMBL1083821 0.72 MEN1 (1.00) MEN1KMT2ALMNAL3MBTL1NPSR1
SCHEMBL1084170 0.72 RECQL (0.56) MEN1KMT2AWHR1EGFRCSF1R

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