SCHEMBL4056907

SCHEMBL4056907

CS(=O)(=O)c1ccc(-c2cnc(NCC3CCNCC3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 2/20 0.47
PTGS2 P35354 4/20 0.46
VCP P55072 1/20 0.44
PTGS1 P23219 1/20 0.44
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
KDM1A O60341 1/20 0.41
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
LRRK2 Q5S007 1/20 0.39
FAAH O00519 1/20 0.39
ATR Q13535 1/20 0.39
PLAT P00750 1/20 0.39
ACP1 P24666 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
SCHEMBL5085870 0.87 PTGS2 (0.47) PTGS2VCPPTGS1JAK2JAK1
SCHEMBL4049787 0.83 TPH1 (0.49) TPH1PTGS2VCPPTGS1JAK2
SCHEMBL4465990 0.81 PTGS2 (0.47) PTGS2VCPPTGS1JAK2JAK1
SCHEMBL4562339 0.80 GPR119 (0.49) TPH1VCP
SCHEMBL4050547 0.79 KDM1A (0.49) PTGS2PTGS1KDM1A
SCHEMBL13690743 0.79 VCP (0.48) TPH1PTGS2VCPGSK3BDYRK1A
SCHEMBL4056338 0.79 TPH1 (0.46) TPH1PTGS2VCPPTGS1JAK2
SCHEMBL4055884 0.78 GPR119 (0.59) TPH1
SCHEMBL13690387 0.78 GPR119 (0.59)
SCHEMBL4051025 0.77 GPR119 (0.47) TPH1

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