SCHEMBL6016346

SCHEMBL6016346

O=C(O)c1cnc(-c2cccnc2)nc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.56
MEN1 O00255 7/20 0.56
LMNA P02545 4/20 0.55
ALDH1A1 P00352 4/20 0.55
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.52
CYP2C19 P33261 4/20 0.52
CYP3A4 P08684 1/20 0.52
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
CYP1A2 P05177 4/20 0.49
CYP2C9 P11712 3/20 0.49
HPGD P15428 1/20 0.49
KMO O15229 1/20 0.48
DHODH Q02127 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6016478 0.88 MEN1 (0.69) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL6016420 0.87 MEN1 (0.61) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL11782258 0.84 MKNK1 (0.55) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL6016650 0.83 MEN1 (0.56) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL3229462 0.82 ALDH1A1 (0.53) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL6760390 0.82 LMNA (0.57) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL8518593 0.79 ALDH1A1 (0.49) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL8946845 0.79 LMNA (0.70) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL6016532 0.79 TACR1 (0.45) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL1034174 0.77 KMO (0.49) KMT2AMEN1LMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP disclosed
CN-1166643-C 4-phenyl-pyrimidine derivatives - 2004-09-15 CN disclosed
CN-1353697-A 4-phenyl-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2002-06-12 CN disclosed
EP-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 EP disclosed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 US disclosed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 WO disclosed