SCHEMBL6445946

SCHEMBL6445946

O=c1cc(-c2ccncc2)nc2n1CCC(c1ccccc1)N2CC(O)c1ccc(-c2ccccc2)cc1.O=c1cc(-c2ccncc2)nc2n1CCC(c1ccccc1)N2CC(O)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.42
PIK3C3 Q8NEB9 2/20 0.42
GSK3B P49841 12/20 0.42
PIK3R1 P27986 1/20 0.41
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
PRCP P42785 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL316432 0.97 PIK3CA (0.44) PIK3CAPIK3C3GSK3BPIK3R1CYP1A2
SCHEMBL315487 0.96 GSK3B (0.45) PIK3CAPIK3C3GSK3BPIK3R1CYP1A2
SCHEMBL316247 0.90 GSK3B (0.48) PIK3CAPIK3C3GSK3BPIK3R1CYP1A2
Hydrochloric Acid SCHEMBL316027 0.90 GSK3B (0.47) PIK3CAPIK3C3GSK3BPIK3R1CYP1A2
SCHEMBL316032 0.89 GSK3B (0.44) PIK3CAPIK3C3GSK3BPIK3R1CYP1A2
SCHEMBL316559 0.89 GSK3B (0.46) PIK3CAPIK3C3GSK3BPIK3R1CYP1A2
SCHEMBL315660 0.87 GSK3B (0.42) PIK3CAPIK3C3GSK3BPIK3R1CYP1A2
SCHEMBL315353 0.87 GSK3B (0.44) PIK3CAPIK3C3GSK3BPIK3R1CYP1A2
SCHEMBL314664 0.86 GSK3B (0.43) PIK3CAPIK3C3GSK3BPIK3R1CYP1A2
SCHEMBL315672 0.85 SLC18A3 (0.43) PIK3CAPIK3C3GSK3BPIK3R1CYP1A2

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-1608654-A2 8-SUBSTITUTED-6, 7, 8,9-TETRAHY9DROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES Sanofi-Aventis (FR) 2005-12-28 EP claimed
WO-2004082577-A2 8-SUBSTITUTED-6, 7, 8, 9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2004-09-30 WO claimed