SCHEMBL20205077

SCHEMBL20205077

Nc1ccc(Nc2nccc(C(=O)Nc3cnccc3OCC(F)(F)F)n2)cc1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.84
GSK3A P49840 18/20 0.84
JAK2 O60674 1/20 0.54
PIM1 P11309 1/20 0.54
CDK2 P24941 1/20 0.54
TYK2 P29597 1/20 0.54
SYK P43405 1/20 0.54
CDK5 Q00535 1/20 0.54
PRKCQ Q04759 1/20 0.54
AURKB Q96GD4 1/20 0.54
ATR Q13535 1/20 0.51
MAPT P10636 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
SCHEMBL20204986 0.91 GSK3B (0.85) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20189392 0.91 GSK3A (0.85) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20204982 0.91 GSK3B (1.00) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20205146 0.91 GSK3B (0.78) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20205078 0.90 GSK3B (0.84) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20205038 0.90 GSK3A (1.00) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20189577 0.89 GSK3B (0.81) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20205184 0.89 GSK3B (0.81) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20190071 0.88 GSK3B (0.80) GSK3BGSK3AJAK2PIM1CDK2
SCHEMBL20190741 0.88 GSK3A (1.00) GSK3BGSK3AJAK2PIM1CDK2

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-2018098412-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed