SCHEMBL2187182

SCHEMBL2187182

NC(=Nc1nc2ccccc2[nH]1)NC(=O)c1csc(NC(=O)Nc2ccccc2OC(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 3/20 0.47
CSNK1D P48730 1/20 0.47
CSNK1G3 Q9Y6M4 1/20 0.44
SLC40A1 Q9NP59 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
MTOR P42345 1/20 0.37
POLB P06746 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MGAM O43451 1/20 0.36
STK33 Q9BYT3 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 0.90 CSNK1E (0.58) CSNK1ECSNK1DCSNK1G3SLC40A1MTOR
SCHEMBL2186882 0.83 CSNK1E (0.65) CSNK1ECSNK1DCSNK1G3SLC40A1MEN1
SCHEMBL2187181 0.82 CSNK1E (0.56) CSNK1ECSNK1DCSNK1G3SLC40A1MEN1
SCHEMBL2187310 0.81 NPC1 (0.52) CSNK1ECSNK1DCSNK1G3MEN1KMT2A
SCHEMBL2187178 0.80 CSNK1D (0.45) CSNK1ECSNK1DKDM4ESMN1; SMN2MTOR
SCHEMBL2187052 0.80 NPC1 (0.50) CSNK1ECSNK1DKDM4EMAPTSMN1; SMN2
SCHEMBL2186979 0.78 MAPT (0.44) CSNK1ESLC40A1MEN1KMT2AKDM4E
SCHEMBL2186693 0.76 MMP2 (0.46) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL2186602 0.76 FOXO1 (0.40) CSNK1ECSNK1DKDM4ESMN1; SMN2MTOR
SCHEMBL2189024 0.76 CSNK1E (0.49) CSNK1ECSNK1DCSNK1G3SMN1; SMN2MTOR

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