SCHEMBL2187408

SCHEMBL2187408

NC(=Nc1nc2ccccc2[nH]1)NC(=O)c1coc(NC(=O)c2ccccc2OC(F)(F)F)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 4/20 0.55
CSNK1D P48730 2/20 0.55
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
PKM P14618 2/20 0.39
HSP90AA1 P07900 1/20 0.39
PAX8 Q06710 1/20 0.39
CSNK1G3 Q9Y6M4 1/20 0.38
MTOR P42345 1/20 0.38
LMNA P02545 2/20 0.38
PSMD14 O00487 1/20 0.38
BRAF P15056 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KCNK3 O14649 3/20 0.36
KCNK9 Q9NPC2 3/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
FOXO1 Q12778 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
SCHEMBL2189072 0.84 CSNK1E (0.58) CSNK1ECSNK1DNPC1RAB9APKM
SCHEMBL2187404 0.82 CSNK1E (0.65) CSNK1ECSNK1DNPC1RAB9APKM
SCHEMBL2187598 0.79 FOXO1 (0.40) CSNK1ECSNK1DNPC1RAB9APKM
SCHEMBL2187182 0.76 CSNK1E (0.47) CSNK1ECSNK1DNPC1RAB9ACSNK1G3
SCHEMBL27730042 0.75 CSNK1E (0.59) CSNK1ECSNK1DCSNK1G3BRAFADORA2A
SCHEMBL2187585 0.72 CSNK1E (0.79) CSNK1ECSNK1DNPC1RAB9APKM
SCHEMBL2187310 0.72 NPC1 (0.52) CSNK1ECSNK1DNPC1RAB9APKM
SCHEMBL2187178 0.66 CSNK1D (0.45) CSNK1ECSNK1DNPC1RAB9APKM
SCHEMBL2189024 0.66 CSNK1E (0.49) CSNK1ECSNK1DNPC1PKMCSNK1G3
SCHEMBL2187052 0.66 NPC1 (0.50) CSNK1ECSNK1DNPC1RAB9APKM

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