SCHEMBL6206078

SCHEMBL6206078

CCOC(OCC)c1ccnc(SC)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
BCHE P06276 5/20 0.33
ACHE P22303 5/20 0.33
PTGS2 P35354 5/20 0.33
MITF O75030 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6203415 0.76 NPC1 (0.40) NPC1RAB9ABCHEACHEPTGS2
SCHEMBL16011482 0.76 NPC1 (0.40) NPC1RAB9ABCHEACHEPTGS2
SCHEMBL3258617 0.75 SLC6A4 (0.49)
SCHEMBL19773692 0.74 ALDH1A1 (0.35) NPC1RAB9ASMN1; SMN2
SCHEMBL29200664 0.72 ROCK1 (0.34)
SCHEMBL17000204 0.72
SCHEMBL6204290 0.71 NPC1 (0.37) NPC1RAB9ABCHEACHEPTGS2
SCHEMBL623356 0.70 PTGS2 (0.44) NPC1RAB9ABCHEACHEPTGS2
SCHEMBL13180194 0.67 NOS3 (0.53) RAB9APKML3MBTL1
SCHEMBL6394314 0.66 PTGS2 (0.57) NPC1RAB9ABCHEACHEPTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551841-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-07-13 EP disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed