SCHEMBL20199423

SCHEMBL20199423

Cc1ccc(-c2cn3nccc(C(=O)Nc4cnccc4N4CCOC(C)C4)c3n2)cc1

nearest known ligand 0.88

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 20/20 0.88
MAPT P10636 11/20 0.88
PIM1 P11309 1/20 0.88
CDK2 P24941 1/20 0.88
GSK3B P49841 1/20 0.88
CDK5 Q00535 1/20 0.88
PRKCQ Q04759 1/20 0.88
AAK1 Q2M2I8 1/20 0.88

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
SCHEMBL20199411 0.94 GSK3A (1.00) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL30049927 0.94 GSK3A (1.00) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL30051416 0.94 GSK3A (1.00) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL20199427 0.92 GSK3A (0.85) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL21331455 0.91 GSK3A (1.00) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL20199389 0.86 GSK3A (1.00) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL30051794 0.86 GSK3A (1.00) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL21331456 0.86 GSK3A (0.78) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL21331459 0.85 GSK3A (1.00) GSK3AMAPTPIM1CDK2GSK3B
SCHEMBL30050288 0.85 GSK3A (1.00) GSK3AMAPTPIM1CDK2GSK3B

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-2018098411-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed