SCHEMBL17695699

SCHEMBL17695699

c1cnc(-c2noc(CSc3nnc(-c4cnccn4)o3)n2)cn1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TERT O14746 4/20 0.58
PIEZO1 Q92508 12/20 0.56
HSD17B10 Q99714 1/20 0.55
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL17695693 0.90 GSK3A (0.69) TERTPIEZO1HSD17B10GSK3AGSK3B
SCHEMBL17695687 0.90 GSK3B (0.69) TERTPIEZO1HSD17B10GSK3AGSK3B
SCHEMBL17695691 0.89 GSK3A (0.71) TERTPIEZO1HSD17B10GSK3AGSK3B
SCHEMBL17695696 0.88 GSK3A (0.61) TERTPIEZO1HSD17B10GSK3AGSK3B
SCHEMBL17695671 0.82 TERT (0.56) TERTPIEZO1HSD17B10GSK3AGSK3B
SCHEMBL17695640 0.80 TERT (0.43) TERTPIEZO1HSD17B10GSK3AGSK3B
SCHEMBL17695697 0.78 GSK3A (0.62) TERTHSD17B10GSK3AGSK3BALDH1A1
SCHEMBL17695637 0.76 GSK3B (0.76) HSD17B10GSK3AGSK3BKDM4EMEN1
SCHEMBL17695679 0.75 GSK3A (0.72) HSD17B10GSK3AGSK3BKDM4EMEN1
SCHEMBL17695702 0.75 GSK3A (0.71) HSD17B10GSK3AGSK3BALDH1A1

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