SCHEMBL2187178

SCHEMBL2187178

NC(=Nc1nc2ccccc2[nH]1)NC(=O)c1csc(NC(=O)c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.45
CSNK1E P49674 1/20 0.45
MTOR P42345 2/20 0.41
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
PKM P14618 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOB P27338 1/20 0.38
ADORA2A P29274 1/20 0.38
SCD O00767 1/20 0.37
OPRK1 P41145 1/20 0.37
KLF5 Q13887 1/20 0.37
HPSE Q9Y251 1/20 0.37
HPGD P15428 1/20 0.36
MPL P40238 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
SCHEMBL2187052 0.91 NPC1 (0.50) CSNK1DCSNK1EMTORNPC1RAB9A
SCHEMBL2186693 0.89 MMP2 (0.46) MTORNPC1RAB9ASMN1; SMN2PKM
SCHEMBL2189024 0.88 CSNK1E (0.49) CSNK1DCSNK1EMTORNPC1SMN1; SMN2
SCHEMBL2186602 0.88 FOXO1 (0.40) CSNK1DCSNK1EMTORNPC1RAB9A
SCHEMBL2186997 0.87 IRAK4 (0.41) CSNK1DCSNK1EMTORNPC1RAB9A
SCHEMBL2186979 0.84 MAPT (0.44) CSNK1ENPC1RAB9ASMN1; SMN2PKM
SCHEMBL2189072 0.83 CSNK1E (0.58) CSNK1DCSNK1EMTORNPC1RAB9A
SCHEMBL2187175 0.80 CSNK1D (0.54) CSNK1DCSNK1EMTORNPC1RAB9A
SCHEMBL2187182 0.80 CSNK1E (0.47) CSNK1DCSNK1EMTORNPC1RAB9A
SCHEMBL2187310 0.80 NPC1 (0.52) CSNK1DCSNK1ENPC1RAB9ASMN1; SMN2

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