SCHEMBL2187003

SCHEMBL2187003

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 4/20 0.54
CSNK1D P48730 2/20 0.54
CSNK1G3 Q9Y6M4 1/20 0.50
SCD O00767 1/20 0.49
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MTOR P42345 1/20 0.46
HTR2B P41595 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 2/20 0.44
HSP90AA1 P07900 1/20 0.44
PAX8 Q06710 1/20 0.44
MGLL Q99685 1/20 0.43
HSD11B1 P28845 1/20 0.43
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
HCRTR1 O43613 1/20 0.41

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
SCHEMBL2187577 0.93 CSNK1E (0.47) CSNK1ECSNK1DCSNK1G3SCDNFKB1
SCHEMBL2187132 0.90 CSNK1E (0.54) CSNK1ECSNK1DCSNK1G3SCDNFKB1
SCHEMBL2187583 0.89 CSNK1E (0.43) CSNK1ECSNK1DCSNK1G3SCDNFKB1
SCHEMBL2187918 0.86 CSNK1E (0.46) CSNK1ECSNK1DCSNK1G3SCDNFKB1
SCHEMBL2189193 0.85 CSNK1E (0.45) CSNK1ECSNK1DCSNK1G3NFKB1NFKB2
SCHEMBL2187771 0.84 HTR2B (0.45) HTR2BMGLLHSD11B1LMNATP53
SCHEMBL2187423 0.83 MGLL (0.41) CSNK1ECSNK1DCSNK1G3NFKB1NFKB2
SCHEMBL28768418 0.81 HSD11B1 (0.53) MGLLHSD11B1LMNATP53HCRTR1
SCHEMBL2187368 0.81 MGLL (0.43) CSNK1ECSNK1DCSNK1G3MGLLHSD11B1
SCHEMBL4294205 0.81 HSD11B1 (0.52) SCDMGLLHSD11B1LMNATP53

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