SCHEMBL2187248

SCHEMBL2187248

CCCS(=O)(=O)c1ccc2[nH]c(NC(=O)c3csc(NC(=O)c4ccccc4OC(F)(F)F)n3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 4/20 0.66
CSNK1D P48730 2/20 0.65
CSNK1G3 Q9Y6M4 1/20 0.65
IRAK4 Q9NWZ3 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
PAX8 Q06710 1/20 0.41
F2R P25116 1/20 0.41
MTOR P42345 1/20 0.40
ABL1 P00519 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 2/20 0.38
ROCK2 O75116 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL2186987 0.83 CSNK1E (0.81) CSNK1ECSNK1DCSNK1G3RAB9ANPC1
SCHEMBL2187918 0.83 CSNK1E (0.46) CSNK1ECSNK1DCSNK1G3IRAK4ABL1
SCHEMBL2186444 0.83 CSNK1E (0.79) CSNK1ECSNK1DCSNK1G3IRAK4RAB9A
SCHEMBL2190582 0.82 CSNK1E (0.71) CSNK1ECSNK1DCSNK1G3IRAK4RAB9A
SCHEMBL28775420 0.80 CSNK1E (0.84) CSNK1ECSNK1DCSNK1G3IRAK4RAB9A
SCHEMBL16766870 0.79 CSNK1E (1.00) CSNK1ECSNK1DCSNK1G3RAB9ANPC1
SCHEMBL2189066 0.76 CSNK1E (0.69) CSNK1ECSNK1DCSNK1G3RAB9ANPC1
SCHEMBL2186882 0.74 CSNK1E (0.65) CSNK1ECSNK1DCSNK1G3RAB9ANPC1
SCHEMBL4090435 0.73 IRAK4 (0.50) IRAK4RAB9ANPC1PKMCYP1A2
SCHEMBL27756392 0.73 CSNK1E (0.57) CSNK1ECSNK1DCSNK1G3RAB9ANPC1

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