SCHEMBL4418535

SCHEMBL4418535

CN(C)CCNCc1ccc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.47
HTR5A P47898 4/20 0.44
CD274 Q9NZQ7 2/20 0.41
BRAF P15056 1/20 0.41
SCN9A Q15858 1/20 0.41
PIM1 P11309 2/20 0.41
AURKA O14965 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK8 P45983 1/20 0.41
CDK8 P49336 1/20 0.41
MAP2K1 Q02750 1/20 0.41
MAP4K2 Q12851 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
SCHEMBL4416279 0.88 PPARA (0.45) PPARAHTR5ACD274PIM1AURKA
SCHEMBL5867379 0.84 SCN8A (0.47) HTR5ABRAFSCN8AMAOBCACNA1B
SCHEMBL16269146 0.82 SCN8A (0.50) SCN8ACACNA1BHDAC1
SCHEMBL4717378 0.80 PPARA (0.53) PPARAPIM1AURKAABL1NTRK1
SCHEMBL24408828 0.77 GCK (0.43) PPARACD274PIM1AURKAABL1
SCHEMBL4423057 0.76 SCN8A (0.51) HTR5ASCN9ASCN8AMAOBCACNA1B
SCHEMBL2056329 0.75 RAB9A (0.56) PPARAPIM1AURKAABL1NTRK1
SCHEMBL5867395 0.74 KDM1A (0.43) PPARAPIM1CYP11B1CYP11B2KDM1A
SCHEMBL20781811 0.73 CYP11B1 (0.50) PPARAPIM1AURKAABL1NTRK1
SCHEMBL9351438 0.73 SMN1; SMN2 (0.58) PPARACYP11B1CYP11B2KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed