SCHEMBL20199683

SCHEMBL20199683

C[S+]([O-])c1ccncc1NC(=O)c1ccnn2cc(-c3ccccc3)nc12

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 20/20 0.74
MAPT P10636 9/20 0.72
GSK3B P49841 2/20 0.63
PIM1 P11309 1/20 0.59
CDK2 P24941 1/20 0.59
CDK5 Q00535 1/20 0.59
PRKCQ Q04759 1/20 0.59
AAK1 Q2M2I8 1/20 0.59

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
SCHEMBL20199398 0.85 GSK3A (1.00) GSK3AMAPTGSK3BPIM1CDK2
SCHEMBL20199400 0.84 GSK3A (1.00) GSK3AMAPTGSK3BPIM1CDK2
SCHEMBL30050558 0.84 GSK3A (1.00) GSK3AMAPTGSK3BPIM1CDK2
SCHEMBL20199669 0.82 GSK3A (1.00) GSK3AMAPTGSK3BPIM1CDK2
SCHEMBL20199415 0.80 GSK3A (1.00) GSK3AMAPTGSK3BPIM1CDK2
SCHEMBL30050574 0.79 GSK3A (1.00) GSK3AMAPTGSK3BPIM1CDK2
SCHEMBL20199338 0.79 GSK3A (1.00) GSK3AMAPTGSK3BPIM1CDK2
SCHEMBL20199410 0.78 GSK3A (1.00) GSK3AMAPTGSK3BPIM1CDK2
SCHEMBL30050892 0.78 GSK3A (1.00) GSK3AMAPTGSK3BPIM1CDK2
SCHEMBL20199408 0.77 GSK3A (1.00) GSK3AMAPTGSK3BPIM1CDK2

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-3544980-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
WO-2018098411-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed