SCHEMBL2186602

SCHEMBL2186602

NC(=Nc1nc2ccccc2[nH]1)NC(=O)c1csc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOXO1 Q12778 1/20 0.40
CSNK1E P49674 2/20 0.39
CSNK1D P48730 1/20 0.39
MPL P40238 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MTOR P42345 2/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
SCD O00767 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
SCHEMBL2186997 0.91 IRAK4 (0.41) CSNK1ECSNK1DIRAK4NPC1RAB9A
SCHEMBL2187178 0.88 CSNK1D (0.45) CSNK1ECSNK1DMPLNPC1RAB9A
SCHEMBL2187052 0.87 NPC1 (0.50) CSNK1ECSNK1DNPC1RAB9ATP53
SCHEMBL2189024 0.84 CSNK1E (0.49) CSNK1ECSNK1DNPC1TP53SMN1; SMN2
SCHEMBL2187598 0.84 FOXO1 (0.40) FOXO1CSNK1ECSNK1DIRAK4NPC1
SCHEMBL2186979 0.83 MAPT (0.44) CSNK1ENPC1RAB9ATP53SMN1; SMN2
SCHEMBL2186693 0.83 MMP2 (0.46) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL2186596 0.83 CSNK1E (0.47) CSNK1ECSNK1DIRAK4NPC1RAB9A
SCHEMBL2189072 0.79 CSNK1E (0.58) CSNK1ECSNK1DNPC1RAB9ATP53
SCHEMBL2187182 0.76 CSNK1E (0.47) CSNK1ECSNK1DNPC1RAB9ASMN1; 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