SCHEMBL2189072

SCHEMBL2189072

NC(=Nc1nc2ccccc2[nH]1)NC(=O)c1csc(NC(=O)c2ccccc2OC(F)(F)F)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 4/20 0.58
CSNK1D P48730 2/20 0.58
CSNK1G3 Q9Y6M4 1/20 0.54
SLC40A1 Q9NP59 1/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
PKM P14618 2/20 0.39
HSP90AA1 P07900 1/20 0.39
PAX8 Q06710 1/20 0.39
MTOR P42345 1/20 0.38
BRAF P15056 1/20 0.37
LMNA P02545 2/20 0.36
PSMD14 O00487 1/20 0.36
ANO1 Q5XXA6 1/20 0.36
KCNK3 O14649 2/20 0.36
KCNK9 Q9NPC2 2/20 0.36
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL2187182 0.90 CSNK1E (0.47) CSNK1ECSNK1DCSNK1G3SLC40A1NPC1
SCHEMBL2187310 0.89 NPC1 (0.52) CSNK1ECSNK1DCSNK1G3NPC1RAB9A
SCHEMBL2187408 0.84 CSNK1E (0.55) CSNK1ECSNK1DCSNK1G3SLC40A1NPC1
SCHEMBL2187178 0.83 CSNK1D (0.45) CSNK1ECSNK1DNPC1RAB9APKM
SCHEMBL2187052 0.83 NPC1 (0.50) CSNK1ECSNK1DNPC1RAB9APKM
SCHEMBL2186987 0.83 CSNK1E (0.81) CSNK1ECSNK1DCSNK1G3SLC40A1NPC1
SCHEMBL2189024 0.82 CSNK1E (0.49) CSNK1ECSNK1DCSNK1G3NPC1PKM
SCHEMBL2189066 0.82 CSNK1E (0.69) CSNK1ECSNK1DCSNK1G3SLC40A1NPC1
SCHEMBL2186979 0.81 MAPT (0.44) CSNK1ESLC40A1NPC1RAB9APKM
SCHEMBL2185628 0.80 SMN1; SMN2 (0.39) CSNK1ECSNK1DNPC1RAB9A

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