SCHEMBL6016409

SCHEMBL6016409

Cc1ccccc1-c1nc(NCCN(C)C)ncc1C(=O)OC(N)CN(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
RAD52 P43351 2/20 0.39
SYK P43405 2/20 0.39
MALT1 Q9UDY8 1/20 0.35
MAPK14 Q16539 3/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
IGF1R P08069 2/20 0.35
KMT2A Q03164 2/20 0.35
UHRF1 Q96T88 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
EGFR P00533 3/20 0.34
ERBB2 P04626 1/20 0.34
ERBB3 P21860 1/20 0.34

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 0.84 SYK (0.43) POLBRAD52SYKMALT1RAB9A
SCHEMBL6016404 0.82 SYK (0.45) POLBRAD52SYKMALT1RAB9A
SCHEMBL7140289 0.79 SYK (0.40) POLBRAD52SYKUTS2RCASR
SCHEMBL6016320 0.73 MAPK14 (0.42) POLBRAD52SYKMALT1MAPK14
SCHEMBL6016303 0.73 MAPK14 (0.45) SYKMALT1MAPK14KMT2AKDM4E
SCHEMBL6016318 0.71 MAPK14 (0.42) SYKMAPK14RAB9AKMT2AMEN1
SCHEMBL6016301 0.71 MEN1 (0.46) POLBRAD52SYKKMT2AKDM4E
SCHEMBL6866454 0.71 POLB (0.39) POLBRAD52SYKMALT1MAPK14
SCHEMBL6869463 0.71 ATM (0.43) POLBRAD52SYKMALT1MAPK14
SCHEMBL3443622 0.71 STAT6 (0.48) SYKRAB9ANPSR1KDM4ECASR

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 4 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
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