SCHEMBL6016301

SCHEMBL6016301

CN(C)CCNc1ncc(C(=O)O)c(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SYK P43405 2/20 0.45
SCN9A Q15858 1/20 0.43
ADORA1 P30542 3/20 0.42
ACP1 P24666 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CSNK2A1 P68400 1/20 0.41
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC2A1 P11166 1/20 0.41

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
SCHEMBL6016388 0.86 SYK (0.43) SYKCSNK2A1POLBRAD52ZAP70
SCHEMBL6016303 0.85 MAPK14 (0.45) MEN1KMT2ASYKADORA1KDM4E
SCHEMBL3443239 0.82 HDAC3 (0.53) ADORA1KDM4EATM
SCHEMBL6016404 0.81 SYK (0.45) SYKCSNK2A1POLBRAD52ZAP70
SCHEMBL6016318 0.81 MAPK14 (0.42) MEN1KMT2ASYKALDH1A1CSNK2A1
SCHEMBL3442955 0.80 ATM (0.57) KDM4EATM
SCHEMBL6862593 0.80 KDM4E (0.46) MEN1KMT2ASYKADORA1ACP1
SCHEMBL6879926 0.77 SELP (0.44) SYKALDH1A1KDM4EPOLBRAD52
SCHEMBL6878696 0.77 RAD52 (0.42) MEN1KMT2ASYKSCN9ACSNK2A1
SCHEMBL6016364 0.76 ALDH1A1 (0.47) MEN1KMT2AADORA1ALDH1A1KDM4E

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