SCHEMBL4056589

SCHEMBL4056589

CN(Cc1cnc(-c2ccc(C(N)=O)cc2)cn1)C1CCN(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 4/20 0.40
GPR119 Q8TDV5 3/20 0.39
MCHR1 Q99705 3/20 0.39
HPGD P15428 1/20 0.37
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
MTOR P42345 1/20 0.36
MAPK1 P28482 1/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL4050800 0.90 ALDH1A1 (0.41) ATRGPR119MCHR1HPGD
SCHEMBL4050702 0.88 GPR119 (0.46) ATRGPR119MCHR1MKNK1MKNK2
SCHEMBL4373924 0.88 GPR119 (0.38) ATRGPR119MCHR1HPGDMKNK1
SCHEMBL13690499 0.87 GPR119 (0.57) GPR119
SCHEMBL4050169 0.87 GPR119 (0.57) GPR119ACACBACACA
SCHEMBL4374631 0.86 ITGB3 (0.40) ATRGPR119MCHR1HPGDITGB3
SCHEMBL4376368 0.86 MKNK1 (0.46) ATRMKNK1MKNK2L3MBTL3
SCHEMBL4060086 0.85 RORC (0.46) ATRGPR119MCHR1MTOR
SCHEMBL4370580 0.85 ATR (0.34) ATRGPR119MCHR1MKNK1MKNK2
SCHEMBL4059822 0.82 MCHR1 (0.41) ATRMCHR1MTOR

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