SCHEMBL4540280

SCHEMBL4540280

O=C(NCc1ccc(C(F)(F)F)nc1)c1ccnn1-c1ncc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.44
EGLN1 Q9GZT9 1/20 0.41
KIT P10721 2/20 0.41
MEN1 O00255 1/20 0.41
PPARG P37231 1/20 0.41
KMT2A Q03164 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
NAMPT P43490 2/20 0.40
LCK P06239 1/20 0.40
PGR P06401 1/20 0.40
CSF1R P07333 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
PDGFRB P09619 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40

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
SCHEMBL4543960 0.90 GRM5 (0.43) DGAT2EGLN1MEN1PPARGKMT2A
SCHEMBL4538837 0.84 MAPK1 (0.46) EGLN1FLT1KDRTRPV1CYP1A2
SCHEMBL4540440 0.83 MAPK14 (0.48) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4542661 0.83 MEN1 (0.58) DGAT2EGLN1KITMEN1PPARG
SCHEMBL4538848 0.82 SCN3A (0.47) EGLN1MEN1PPARGKMT2ANR2E3
SCHEMBL4543760 0.82 PTGER4 (0.41) DGAT2MEN1PPARGKMT2ANR2E3
SCHEMBL4540559 0.81 MEN1 (0.51) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4540761 0.80 PTGER4 (0.52) P2RX7
SCHEMBL4542986 0.77 MEN1 (0.49) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4541107 0.77 MEN1 (0.49) EGLN1MEN1PPARGKMT2ANR2E3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed