SCHEMBL2186596

SCHEMBL2186596

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 3/20 0.47
CSNK1D P48730 1/20 0.47
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
PKM P14618 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
MTOR P42345 2/20 0.44
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CSNK1G3 Q9Y6M4 1/20 0.42

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
SCHEMBL2186995 0.91 IRAK4 (0.51) CSNK1ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL2187175 0.89 CSNK1D (0.54) CSNK1ECSNK1DNPC1RAB9ASMN1; SMN2
SCHEMBL2187048 0.87 NPC1 (0.63) CSNK1ECSNK1DNPC1RAB9ASMN1; SMN2
SCHEMBL2189020 0.85 CSNK1E (0.59) CSNK1ECSNK1DNPC1RAB9ASMN1; SMN2
SCHEMBL2186970 0.83 NPC1 (0.49) CSNK1ECSNK1DNPC1RAB9ASMN1; SMN2
SCHEMBL2186689 0.83 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL2187593 0.83 NPC1 (0.46) CSNK1ECSNK1DNPC1RAB9ASMN1; SMN2
SCHEMBL2186602 0.83 FOXO1 (0.40) CSNK1ECSNK1DNPC1RAB9ASMN1; SMN2
SCHEMBL2189066 0.79 CSNK1E (0.69) CSNK1ECSNK1DNPC1RAB9ASMN1; SMN2
SCHEMBL2187181 0.76 CSNK1E (0.56) 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