SCHEMBL16702244

SCHEMBL16702244

O=C(Nc1cnc(Cl)cc1CCCCO)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.56
▸ GSK3A P49840 5/20 0.56
▸ MAPT P10636 4/20 0.56
▸ PTGS1 P23219 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ GPR52 Q9Y2T5 1/20 0.38
▸ KCNQ3 O43525 2/20 0.37
▸ KCNQ2 O43526 2/20 0.37
▸ KCNE1 P15382 2/20 0.37
▸ KCNQ1 P51787 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ EPAS1 Q99814 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.36
▸ PTGES O14684 1/20 0.36
▸ DEGS1 O15121 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
SCHEMBL16702726 0.85 GSK3B (0.56) GSK3BGSK3AMAPTPTGS1SCN9A
SCHEMBL16702508 0.82 GSK3B (0.52) GSK3BGSK3AMAPTPTGS1SCN9A
SCHEMBL16702502 0.81 GSK3B (0.77) GSK3BGSK3AMAPTTRPV1
SCHEMBL16702819 0.81 GSK3B (0.71) GSK3BGSK3AMAPTPTGS1
SCHEMBL16702480 0.81 GSK3B (0.56) GSK3BGSK3AMAPTPTGS1SCN9A
SCHEMBL16712878 0.80 GSK3B (0.57) GSK3BGSK3AMAPTPTGS1SCN9A
SCHEMBL16703193 0.80 GSK3B (0.55) GSK3BGSK3AMAPTPTGS1SCN9A
SCHEMBL16702627 0.80 GSK3B (0.49) GSK3BGSK3AMAPTSCN9AMEN1
SCHEMBL16702473 0.79 GSK3B (0.56) GSK3BGSK3AMAPTMEN1KMT2A
SCHEMBL16702854 0.79 GSK3B (0.52) GSK3BGSK3AMAPTPTGS1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066093-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-14 — — EP disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 — — WO disclosed
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