SCHEMBL20765262

SCHEMBL20765262

CCn1cc(-c2cc(-c3ccnc(NC(=O)O)c3)cc(=O)[nH]2)c(C(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 11/20 0.52
AURKA O14965 5/20 0.36
AURKB Q96GD4 5/20 0.36
GSK3B P49841 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
BRAF P15056 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL20764786 0.93 PIK3C3 (0.52) PIK3C3AURKAAURKB
SCHEMBL20764785 0.91 PIK3C3 (0.51) PIK3C3
SCHEMBL29700999 0.85 PIK3C3 (0.51) PIK3C3
SCHEMBL20765384 0.85 PIK3C3 (0.51) PIK3C3
SCHEMBL26612404 0.77 PIK3C3 (0.79) PIK3C3GSK3B
SCHEMBL20764780 0.74 PIK3C3 (0.62) PIK3C3
SCHEMBL29701315 0.74 PIK3C3 (0.62) PIK3C3
SCHEMBL29701309 0.72 PIK3C3 (0.60) PIK3C3
SCHEMBL20764797 0.72 PIK3C3 (0.60) PIK3C3
SCHEMBL21612168 0.72 PIK3C3 (0.65) PIK3C3GSK3B

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-3672941-A1 PYRIDYLPYRIDONE COMPOUNDS Sprint Bioscience AB (SE) 2020-07-01 EP claimed
WO-2019038387-A1 PYRIDYLPYRIDONE COMPOUNDS SPRINT BIOSCIENCE AB (SE) 2019-02-28 WO claimed