SCHEMBL4387698

SCHEMBL4387698

CN(Cc1cnc(-c2ccc(S(C)(=O)=O)cc2)cn1)C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
ATR Q13535 4/20 0.44
LMNA P02545 2/20 0.43
GPR119 Q8TDV5 3/20 0.43
ADAMTS7 Q9UKP4 2/20 0.40
ADAMTS5 Q9UNA0 2/20 0.40
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
BRAF P15056 1/20 0.39
PIK3R1 P27986 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4060086 0.90 RORC (0.46) RORCATRGPR119
SCHEMBL5079950 0.87 GPR119 (0.47) RORCATRLMNAGPR119ADAMTS7
SCHEMBL13690530 0.87 ATR (0.47) ATRTSHRACHEL3MBTL3MKNK1
SCHEMBL4056917 0.87 NPY2R (0.48) RORCGPR119
SCHEMBL4370431 0.85 ATR (0.50) ATRGPR119L3MBTL3MKNK1MKNK2
SCHEMBL4058099 0.85 RORC (0.47) RORCGPR119SMN1; SMN2
SCHEMBL4053567 0.84 GPR119 (0.47) RORCLMNAGPR119TSHRSMN1; SMN2
SCHEMBL4048482 0.83 GPR119 (0.56) RORCGPR119
SCHEMBL4376368 0.81 MKNK1 (0.46) ATRL3MBTL3MKNK1MKNK2
SCHEMBL4049314 0.81 GPR119 (0.49) RORCGPR119

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