SCHEMBL29939121

SCHEMBL29939121

O=C(Nc1cnccc1-c1ccccc1)c1ccnc(Nc2ccc(C(F)(F)F)cc2F)n1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 20/20 0.78
GSK3B P49841 20/20 0.78
JAK2 O60674 1/20 0.60
PIM1 P11309 1/20 0.60
CDK2 P24941 1/20 0.60
TYK2 P29597 1/20 0.60
SYK P43405 1/20 0.60
CDK5 Q00535 1/20 0.60
PRKCQ Q04759 1/20 0.60
AURKB Q96GD4 1/20 0.60
MAPT P10636 1/20 0.60

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
SCHEMBL20190053 1.00 GSK3A (0.78) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL29939616 0.91 GSK3A (0.78) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20189926 0.91 GSK3A (0.78) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL29939426 0.88 GSK3A (0.81) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20205039 0.88 GSK3A (0.81) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20190130 0.88 GSK3A (1.00) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20205186 0.85 GSK3A (0.76) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL29939610 0.85 GSK3A (0.76) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL29939467 0.85 GSK3A (0.82) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20205024 0.85 GSK3A (0.82) GSK3AGSK3BJAK2PIM1CDK2

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
CN-110545817-B GSK-3 inhibitors 百时美施贵宝公司 2022-11-15 CN disclosed