SCHEMBL17695696

SCHEMBL17695696

c1cncc(-c2noc(CSc3nnc(-c4cnccn4)o3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.61
GSK3B P49841 1/20 0.61
TERT O14746 4/20 0.59
ALDH1A1 P00352 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
PIEZO1 Q92508 9/20 0.57
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.51
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
STAT1 P42224 1/20 0.49

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
SCHEMBL17695691 0.93 GSK3A (0.71) GSK3AGSK3BTERTALDH1A1NPC1
SCHEMBL17695697 0.91 GSK3A (0.62) GSK3AGSK3BTERTALDH1A1NPC1
SCHEMBL17695693 0.89 GSK3A (0.69) GSK3AGSK3BTERTALDH1A1NPC1
SCHEMBL17695702 0.89 GSK3A (0.71) GSK3AGSK3BALDH1A1NPC1RAB9A
SCHEMBL17695699 0.88 TERT (0.58) GSK3AGSK3BTERTALDH1A1PIEZO1
SCHEMBL17695690 0.86 GSK3B (0.81) GSK3AGSK3BALDH1A1NPC1RAB9A
SCHEMBL17695671 0.86 TERT (0.56) GSK3AGSK3BTERTALDH1A1PIEZO1
SCHEMBL17695681 0.85 GSK3A (0.79) GSK3AGSK3BALDH1A1NPC1RAB9A
SCHEMBL17695686 0.84 GSK3A (0.81) GSK3AGSK3BALDH1A1NPC1RAB9A
SCHEMBL17695687 0.83 GSK3B (0.69) GSK3AGSK3BTERTALDH1A1NPC1

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
WO-2016061344-A1 GSK3 INHIBITORS AND THEIR USES MIRX PHARMACEUTICALS LLC (US) 2016-04-21 WO disclosed