SCHEMBL9686738

SCHEMBL9686738

CCn1cc(C#N)c2nc(N3CCN(C(=O)OCc4ccccc4)CC3)ncc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
PGGT1B P53609 2/20 0.44
PTPN11 Q06124 1/20 0.42
KDM4E B2RXH2 5/20 0.41
MAPK1 P28482 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABCC1 P33527 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ENPP2 Q13822 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL9686692 0.86 ABCC1 (0.41) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL9684377 0.86 PTPN11 (0.42) FNTAFNTBPGGT1BPTPN11KDM4E
SCHEMBL9686871 0.76 CYP1A2 (0.43) MAPK1MEN1KMT2AALDH1A1HPGD
SCHEMBL9686660 0.72 HTT (0.48) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL16651754 0.70 HDAC1 (0.56) FNTAFNTBPGGT1BPTPN11GPR119
SCHEMBL20425032 0.69 MEN1 (0.53) PTPN11GPR119MEN1KMT2ANPSR1
SCHEMBL15344316 0.69 HDAC1 (0.55) PTPN11GPR119MEN1KMT2ANPSR1
SCHEMBL15344305 0.68 HDAC1 (0.54) PTPN11GPR119MEN1KMT2ANPSR1
SCHEMBL16651298 0.68 HDAC1 (0.53) FNTAFNTBPGGT1BPTPN11MAPK1
SCHEMBL16652543 0.67 MEN1 (0.48) PTPN11GPR119KCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0188094-B1 QUINAZOLINE DERIVATIVES AND ANTIHYPERTENSIVE PREPARATIONS CONTAINING SAME AS EFFECTIVE COMPONENTS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4734418-A Quinazoline compounds and antihypertensives MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-03-29 US disclosed