SCHEMBL2187370

SCHEMBL2187370

N=C(NC(=O)c1csc(N2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)n1)Nc1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.48
CSNK1E P49674 4/20 0.48
CSNK1D P48730 2/20 0.48
CSNK1G3 Q9Y6M4 1/20 0.44
MTOR P42345 1/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
PKM P14618 2/20 0.40
HSP90AA1 P07900 1/20 0.40
PAX8 Q06710 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.36
OPRK1 P41145 1/20 0.36
MGLL Q99685 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL2187577 0.87 CSNK1E (0.47) SCDCSNK1ECSNK1DCSNK1G3MTOR
SCHEMBL2189066 0.82 CSNK1E (0.69) CSNK1ECSNK1DCSNK1G3MTORNPC1
SCHEMBL2187668 0.79 KMT2A (0.48) NPC1RAB9ASLC40A1GAAKMT2A
SCHEMBL2187003 0.79 CSNK1E (0.54) SCDCSNK1ECSNK1DCSNK1G3MTOR
SCHEMBL2187574 0.77 GAA (0.44) SCDNPC1RAB9APKMGAA
SCHEMBL2187181 0.76 CSNK1E (0.56) CSNK1ECSNK1DCSNK1G3MTORNPC1
SCHEMBL2187404 0.74 CSNK1E (0.65) CSNK1ECSNK1DCSNK1G3MTORNPC1
SCHEMBL2186987 0.73 CSNK1E (0.81) CSNK1ECSNK1DCSNK1G3MTORNPC1
SCHEMBL2187583 0.72 CSNK1E (0.43) SCDCSNK1ECSNK1DCSNK1G3MTOR
SCHEMBL2187302 0.71 NPC1 (0.65) CSNK1ECSNK1DCSNK1G3NPC1RAB9A

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