SCHEMBL29939337

SCHEMBL29939337

CC(C)Nc1nccc(C(=O)Nc2cnccc2-c2ccc(F)cc2)n1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 20/20 0.76
GSK3B P49841 20/20 0.76
JAK2 O60674 2/20 0.76
PIM1 P11309 2/20 0.76
CDK2 P24941 2/20 0.76
CDK5 Q00535 2/20 0.76
PRKCQ Q04759 2/20 0.76
AURKB Q96GD4 2/20 0.76
TYK2 P29597 1/20 0.76
SYK P43405 1/20 0.76
MAPT P10636 2/20 0.66
IGF1R P08069 1/20 0.66
PDGFRB P09619 1/20 0.66
KIT P10721 1/20 0.66
JAK1 P23458 1/20 0.66
BTK Q06187 1/20 0.66
MAPK14 Q16539 1/20 0.66

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
SCHEMBL20204929 1.00 GSK3A (0.76) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20189862 0.90 GSK3A (0.70) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL29939440 0.86 GSK3A (1.00) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20205153 0.86 GSK3A (1.00) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL29939261 0.83 GSK3A (1.00) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20204925 0.83 GSK3A (1.00) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20190197 0.83 GSK3A (0.71) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL29939307 0.82 GSK3A (1.00) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL29939539 0.82 GSK3A (0.74) GSK3AGSK3BJAK2PIM1CDK2
SCHEMBL20205102 0.82 GSK3A (0.74) 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