SCHEMBL2187583

SCHEMBL2187583

NC(=NC(=O)c1csc(C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)n1)Nc1nc2ccccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 3/20 0.43
CSNK1D P48730 1/20 0.43
HTR2B P41595 2/20 0.41
SCD O00767 1/20 0.40
CSNK1G3 Q9Y6M4 1/20 0.40
HSD11B1 P28845 1/20 0.39
MTOR P42345 1/20 0.38
MGLL Q99685 1/20 0.38
RBP4 P02753 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
HSP90AA1 P07900 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
SCHEMBL2187003 0.89 CSNK1E (0.54) CSNK1ECSNK1DHTR2BSCDCSNK1G3
SCHEMBL2187577 0.85 CSNK1E (0.47) CSNK1ECSNK1DHTR2BSCDCSNK1G3
SCHEMBL2187636 0.85 HSD11B1 (0.45) HSD11B1MGLLHCRTR1HCRTR2MAPK8
SCHEMBL2186531 0.82 NFKB1 (0.41) NFKB1NFKB2RELASMN1; SMN2NPC1
SCHEMBL2187771 0.80 HTR2B (0.45) HTR2BHSD11B1MGLLRBP4MAPK8
SCHEMBL2187132 0.80 CSNK1E (0.54) CSNK1ECSNK1DSCDCSNK1G3HSD11B1
SCHEMBL4294205 0.80 HSD11B1 (0.52) SCDHSD11B1MGLLHCRTR1HCRTR2
SCHEMBL2187530 0.79 SMN1; SMN2 (0.47) NFKB1NFKB2RELASMN1; SMN2NPC1
SCHEMBL28768418 0.77 HSD11B1 (0.53) HSD11B1MGLLHCRTR1HCRTR2MAPK8
SCHEMBL2189193 0.77 CSNK1E (0.45) CSNK1ECSNK1DCSNK1G3HSD11B1MGLL

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