SCHEMBL2187175

SCHEMBL2187175

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.54
CSNK1E P49674 1/20 0.54
MTOR P42345 2/20 0.52
NPC1 O15118 10/20 0.50
RAB9A P51151 10/20 0.50
PKM P14618 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAOB P27338 1/20 0.48
ADORA2A P29274 1/20 0.48
KLF5 Q13887 2/20 0.47
SCD O00767 1/20 0.47
OPRK1 P41145 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL2187048 0.91 NPC1 (0.63) CSNK1DCSNK1EMTORNPC1RAB9A
SCHEMBL2186689 0.89 NPC1 (0.52) MTORNPC1RAB9APKMSMN1; SMN2
SCHEMBL2186596 0.89 CSNK1E (0.47) CSNK1DCSNK1EMTORNPC1RAB9A
SCHEMBL2189020 0.89 CSNK1E (0.59) CSNK1DCSNK1EMTORNPC1RAB9A
SCHEMBL2186995 0.86 IRAK4 (0.51) CSNK1EMTORNPC1RAB9APKM
SCHEMBL2186970 0.83 NPC1 (0.49) CSNK1DCSNK1EMTORNPC1RAB9A
SCHEMBL2189066 0.82 CSNK1E (0.69) CSNK1DCSNK1EMTORNPC1RAB9A
SCHEMBL2187178 0.80 CSNK1D (0.45) CSNK1DCSNK1EMTORNPC1RAB9A
SCHEMBL11732060 0.80 NPC1 (0.76) MTORNPC1RAB9APKMSMN1; SMN2
SCHEMBL2187181 0.79 CSNK1E (0.56) CSNK1DCSNK1EMTORNPC1RAB9A

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