SCHEMBL7002558

SCHEMBL7002558

Cc1c(-c2ccncn2)nc2n(c1=O)CCCN2C(C=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.35
CYP2D6 P10635 3/20 0.34
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32

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
SCHEMBL3568036 0.74 DPP4 (0.38) GSK3B
SCHEMBL7003368 0.72 MAPK1 (0.39) GSK3B
SCHEMBL3565612 0.69 KDM4E (0.45) GSK3BGABRA1GABRG2GABRB3GABRA3
SCHEMBL7003366 0.69 P2RX7 (0.33) GSK3B
SCHEMBL6994817 0.67 GSK3B (0.42) GSK3BCYP2D6
SCHEMBL3568873 0.67 GSK3B (0.46) GSK3BCYP2D6
SCHEMBL3573569 0.67 MEN1 (0.35) GSK3BCYP2D6
SCHEMBL3573567 0.67 MEN1 (0.35) GSK3BCYP2D6
SCHEMBL3573572 0.67 MEN1 (0.35) GSK3BCYP2D6
SCHEMBL3566871 0.65 GSK3B (0.49) GSK3BCYP2D6

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-1340760-A1 Substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5(1H)one derivatives SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
EP-1295884-A1 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a]Pyrimidin-4-one and 7-Pyrimidinyl-2,3-Dihydroimidazo[1,2-a]Pyrimidin-5(1H)one derivatives SANOFI-SYNTHELABO (FR) 2003-03-26 EP disclosed