SCHEMBL3962814

SCHEMBL3962814

O=c1cc(-c2ccncc2)nc2n1CCC(C1CCNCC1)N2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.42
LATS1 O95835 1/20 0.39
CDC7 O00311 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKD1 Q15139 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
SCHEMBL3962773 0.88 GSK3B (0.43) GSK3BLATS1KDM5B
SCHEMBL3959225 0.85 CYP2C9 (0.37) GSK3BCDC7KDM5B
SCHEMBL4476686 0.80 KDM4E (0.46) GSK3BCDC7
SCHEMBL4865548 0.80 GSK3B (0.46) GSK3BLATS1CDC7KDM5B
SCHEMBL315643 0.79 GSK3B (0.44) GSK3BKDM5B
Hydrochloric Acid SCHEMBL6883945 0.78 GSK3B (0.45) GSK3BKDM5B
Hydrochloric Acid SCHEMBL6883926 0.78 GSK3B (0.45) GSK3BKDM5B
SCHEMBL4872195 0.77 GSK3B (0.41) GSK3BCDC7KDM5B
SCHEMBL4416230 0.77 LATS1 (0.43) GSK3BLATS1CDC7MKNK2KDM5B
SCHEMBL4000370 0.76 CDC7 (0.51) GSK3BLATS1CDC7KDM5BPRKCB

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