SCHEMBL8842447

SCHEMBL8842447

Brc1ccc(-c2ccnc(-c3ccccc3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.72
MEN1 O00255 7/20 0.72
MAPT P10636 5/20 0.57
KDM4E B2RXH2 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
POLB P06746 1/20 0.53
PTK2B Q14289 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
AURKA O14965 1/20 0.52
HSP90AA1 P07900 1/20 0.52
PRKACA P17612 1/20 0.52
ADORA2A P29274 1/20 0.52
NR1H4 Q96RI1 1/20 0.51
GABRA1 P14867 1/20 0.51

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
SCHEMBL28135253 1.00 KMT2A (0.72) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL30902769 1.00 KMT2A (0.72) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL28460987 0.98 KMT2A (0.70) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL6362896 0.92 MEN1 (0.82) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL29730468 0.88 KMT2A (0.61) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL18732403 0.88 KMT2A (0.61) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL21003801 0.88 KMT2A (0.61) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL18731741 0.88 KMT2A (0.61) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL190954 0.88 AURKA (0.63) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL29620532 0.88 AURKA (0.63) KMT2AMEN1MAPTKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106496127-B A kind of preparation method of polysubstituted pyrimidine 苏州大学 2019-09-27 CN disclosed
CN-106892872-A A kind of synthetic method of 2- (4- bromophenyls) -4- xenyl -6- phenyl pyrimidines 西安瑞联新材料股份有限公司 2017-06-27 CN disclosed
CN-106496127-A A kind of preparation method of polysubstituted pyrimidine 苏州大学 2017-03-15 CN disclosed
CN-1950479-A Electroluminescent device CIBA SC HOLDING AG (CH) 2007-04-18 CN disclosed
US-5686456-A DIARYLPYRIMIDINES THE UNIVERSITY OF NORTH CAROLINA (US) 1997-11-11 US disclosed
US-5627184-A BACTERICIDES OF PYRIMIDINE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-05-06 US disclosed
US-5622955-A ADMINISTERING 2,4-BIS-/4-GUANYLPHENYL/-PYRIMIDINE OR DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-04-22 US disclosed
US-5606058-A HAVING REDUCED SIDE EFFECTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-02-25 US disclosed
US-5521189-A PYRIMIDINE COMPOUNDS AS ANTIPROTOZOA AGENTS THE UNIVERSITY OF NC AT CH (US) 1996-05-28 US disclosed