SCHEMBL4050438

SCHEMBL4050438

CS(=O)(=O)c1ccc(-c2cnc(CN3CCC(N)CC3)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.43
RORC P51449 1/20 0.41
TNF P01375 2/20 0.40
MERTK Q12866 1/20 0.39
ATR Q13535 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
PIM1 P11309 1/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
GPR183 P32249 1/20 0.36
SLC16A3 O15427 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
Hydrochloric Acid SCHEMBL4055905 0.99 GPR119 (0.43) GPR119RORCTNFMERTKATR
SCHEMBL3985271 0.84 TNF (0.46) GPR119TNFJAK2JAK1TYK2
SCHEMBL17967843 0.76 DRD2 (0.51) GPR119JAK2JAK1TYK2JAK3
SCHEMBL4060086 0.71 RORC (0.46) GPR119RORCTNFATR
SCHEMBL4048443 0.70 RORC (0.47) GPR119RORCATRKCNH2
SCHEMBL4053994 0.70 GPR119 (0.42) GPR119RORCATRJAK3
SCHEMBL4387699 0.69 HTR2A (0.41) GPR119RORCATRJAK2KCNH2
SCHEMBL4048433 0.69 RORC (0.41) RORCATR
SCHEMBL4053567 0.69 GPR119 (0.47) GPR119RORC
SCHEMBL387443 0.68 ALOX5AP (0.52) RORCATRALOX5APFEN1KCNH2

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