SCHEMBL3962773

SCHEMBL3962773

CN1CCC(C2CCn3c(nc(-c4ccncc4)cc3=O)N2)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.43
LATS1 O95835 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 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
SCHEMBL3962814 0.88 GSK3B (0.42) GSK3BLATS1KDM5B
SCHEMBL3959225 0.86 CYP2C9 (0.37) GSK3BKDM5BCYP1A2CYP2D6
SCHEMBL4865548 0.83 GSK3B (0.46) GSK3BLATS1KDM5B
SCHEMBL4476686 0.83 KDM4E (0.46) GSK3B
SCHEMBL4872195 0.78 GSK3B (0.41) GSK3BKDM5B
SCHEMBL315643 0.78 GSK3B (0.44) GSK3BKDM5BCYP2D6
Hydrochloric Acid SCHEMBL6883945 0.77 GSK3B (0.45) GSK3BKDM5BCYP2D6
Hydrochloric Acid SCHEMBL6883926 0.77 GSK3B (0.45) GSK3BKDM5BCYP2D6
SCHEMBL4416230 0.76 LATS1 (0.43) GSK3BLATS1KDM5B
SCHEMBL315379 0.75 GSK3B (0.52) GSK3BCYP1A2CYP2D6

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-2081938-A2 SUBSTITUTED 8-PIPERIDINYL-2-PYRIDINYL-PYRIMIDO Ý1,2-A¨PIRIMIDIN-6-ONE AND 8-PIPERIDINYL-2-PYRIMIDI NYL-PYRIMIDOÝ1,2,-A¨PYRIMIDIN-6-ONE DERIVATIVES Sanofi-Aventis (FR) 2009-07-29 EP disclosed
WO-2008056266-A2 SUBSTITUTED 8-PIPERIDINYL-2-PYRIDINYL-PYRIMIDO [1,2-A]PYRIMIDIN-6-ONE AND 8-PIPERIDINYL-2-PYRIMIDINYL-PYRIMIDO[1,2-A]PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-05-15 WO disclosed