SCHEMBL2187200

SCHEMBL2187200

Cc1cc2nc(NC(=O)c3csc(NC(=O)c4ccccc4F)n3)[nH]c2cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 3/20 0.62
CSNK1D P48730 1/20 0.56
CSNK1G3 Q9Y6M4 1/20 0.56
NPC1 O15118 6/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 2/20 0.55
PKM P14618 2/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 5/20 0.48
RAB9A P51151 5/20 0.48
MEN1 O00255 4/20 0.48
ROCK1 Q13464 1/20 0.47
PDE5A O76074 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL2186444 0.86 CSNK1E (0.79) CSNK1ECSNK1DCSNK1G3NPC1LMNA
SCHEMBL11705432 0.78 IRAK4 (0.58) NPC1LMNATP53PKMGAA
SCHEMBL27756403 0.76 IRAK4 (0.56) NPC1PKMKMT2ARAB9AMEN1
SCHEMBL28775420 0.75 CSNK1E (0.84) CSNK1ECSNK1DCSNK1G3NPC1LMNA
SCHEMBL3603343 0.75 NPC1 (0.64) NPC1LMNATP53PKMGAA
SCHEMBL16789309 0.75 CSNK1E (0.82) CSNK1ECSNK1DCSNK1G3NPC1PKM
SCHEMBL3604259 0.74 RAB9A (0.70) NPC1LMNATP53PKMGAA
SCHEMBL27756405 0.73 CSNK1E (0.56) CSNK1ECSNK1DCSNK1G3NPC1LMNA
SCHEMBL27756547 0.73 CSNK1E (0.55) CSNK1ECSNK1DCSNK1G3NPC1LMNA
SCHEMBL11706898 0.73 NPC1 (1.00) NPC1LMNATP53PKMGAA

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