SCHEMBL2187585

SCHEMBL2187585

Cc1cc2nc(NC(=O)c3coc(NC(=O)c4ccccc4OC(F)(F)F)n3)[nH]c2cc1C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 4/20 0.79
CSNK1D P48730 2/20 0.79
CSNK1G3 Q9Y6M4 1/20 0.56
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
PKM P14618 3/20 0.46
HSP90AA1 P07900 2/20 0.46
PAX8 Q06710 1/20 0.46
ABL1 P00519 1/20 0.43
MTOR P42345 1/20 0.41
KCNK3 O14649 4/20 0.41
KCNK9 Q9NPC2 4/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40

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 0.83 CSNK1E (0.79) CSNK1ECSNK1DCSNK1G3NPC1RAB9A
SCHEMBL2187404 0.80 CSNK1E (0.65) CSNK1ECSNK1DCSNK1G3NPC1RAB9A
SCHEMBL16789316 0.78 CSNK1E (0.60) CSNK1ECSNK1DCSNK1G3NPC1RAB9A
SCHEMBL27730042 0.77 CSNK1E (0.59) CSNK1ECSNK1DCSNK1G3KCNK3KCNK9
SCHEMBL16767400 0.75 CSNK1E (0.82) CSNK1ECSNK1DCSNK1G3NPC1RAB9A
SCHEMBL11705432 0.73 IRAK4 (0.58) NPC1RAB9APKMHSP90AA1PAX8
SCHEMBL2187132 0.73 CSNK1E (0.54) CSNK1ECSNK1DCSNK1G3ABL1LMNA
SCHEMBL2187408 0.72 CSNK1E (0.55) CSNK1ECSNK1DCSNK1G3NPC1RAB9A
SCHEMBL16766870 0.72 CSNK1E (1.00) CSNK1ECSNK1DCSNK1G3NPC1RAB9A
SCHEMBL28775420 0.71 CSNK1E (0.84) 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