SCHEMBL4053679

SCHEMBL4053679

CN(Cc1cnc(-c2ccc(CC=O)s2)cn1)C1CCN(c2ncccn2)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.34
ADRA1A P35348 4/20 0.34
ADRA1B P35368 4/20 0.34
KDM4E B2RXH2 8/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
MCHR1 Q99705 1/20 0.33
CYP3A4 P08684 2/20 0.32
LTA4H P09960 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DYRK1A Q13627 1/20 0.31
CYP2C19 P33261 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4053675 0.86 CYP2C19 (0.37) KDM4EALDH1A1TSHRMCHR1CYP3A4
SCHEMBL4543729 0.74 MCHR1 (0.43) KDM4EALDH1A1TSHRMCHR1CYP3A4
SCHEMBL4057702 0.71 GPR119 (0.48) CYP3A4GPR119
SCHEMBL4048819 0.68 GPR119 (0.40) MCHR1GPR119
SCHEMBL4543839 0.67 GPR119 (0.41) KDM4EMCHR1GPR119
SCHEMBL4371632 0.66 UBE2M (0.41) TSHR
SCHEMBL26149350 0.64 KDM4E (0.49) ADRA1DADRA1AADRA1BKDM4EALDH1A1
SCHEMBL4374631 0.63 ITGB3 (0.40) KDM4EALDH1A1MCHR1LTA4HGPR119
SCHEMBL13690604 0.62 RXFP1 (0.41) KDM4EALDH1A1TSHRMCHR1HSD17B10
SCHEMBL4051798 0.62 SCN9A (0.39) KDM4EALDH1A1TSHRCYP3A4CYP2C19

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
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed