SCHEMBL2187368

SCHEMBL2187368

Nc1nc(NC(=O)c2csc(C3CCN(C(=O)c4ccccc4OC(F)(F)F)CC3)n2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.43
KDM5A P29375 1/20 0.43
HSD11B1 P28845 1/20 0.43
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
PPARG P37231 1/20 0.38
CSNK1E P49674 3/20 0.38
CSNK1D P48730 1/20 0.38
CACNA1B Q00975 2/20 0.38
CSNK1G3 Q9Y6M4 1/20 0.37
PIM1 P11309 2/20 0.36
UBE2M P61081 2/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
TP53 P04637 1/20 0.35
SPR P35270 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
SCHEMBL2189193 0.82 CSNK1E (0.45) MGLLKDM5AHSD11B1HCRTR1HCRTR2
SCHEMBL4294205 0.82 HSD11B1 (0.52) MGLLKDM5AHSD11B1HCRTR1HCRTR2
SCHEMBL28768418 0.81 HSD11B1 (0.53) MGLLKDM5AHSD11B1HCRTR1HCRTR2
SCHEMBL2187003 0.81 CSNK1E (0.54) MGLLHSD11B1HCRTR1HCRTR2CSNK1E
SCHEMBL2187132 0.80 CSNK1E (0.54) MGLLKDM5AHSD11B1HCRTR1HCRTR2
SCHEMBL2187423 0.79 MGLL (0.41) MGLLKDM5AHSD11B1HCRTR1HCRTR2
SCHEMBL2187760 0.78 MGLL (0.42) MGLLKDM5AHSD11B1HCRTR1HCRTR2
SCHEMBL2187632 0.77 HCRTR1 (0.45) MGLLKDM5AHSD11B1HCRTR1HCRTR2
SCHEMBL2187577 0.76 CSNK1E (0.47) MGLLKDM5AHSD11B1HCRTR1HCRTR2
SCHEMBL3049583 0.75 HSD11B1 (0.52) MGLLHSD11B1HCRTR1HCRTR2MAPK8

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
EP-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed