SCHEMBL7003368

SCHEMBL7003368

O=c1c(Cl)c(-c2ccncn2)nc2n1CCCN2C(CO)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.39
CYP3A4 P08684 1/20 0.38
GSK3B P49841 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DHPS P49366 1/20 0.35
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
SCHEMBL3573569 0.81 MEN1 (0.35) MAPK1GSK3BMEN1KMT2A
SCHEMBL3573567 0.81 MEN1 (0.35) MAPK1GSK3BMEN1KMT2A
SCHEMBL3573572 0.81 MEN1 (0.35) MAPK1GSK3BMEN1KMT2A
SCHEMBL7003366 0.80 P2RX7 (0.33) GSK3B
SCHEMBL7002558 0.72 GSK3B (0.35) GSK3B
SCHEMBL3577522 0.69 KDM4E (0.45) GSK3B
SCHEMBL6995827 0.68 GSK3B (0.43) GSK3B
SCHEMBL4872091 0.67 GSK3B (0.38) MAPK1GSK3BMEN1KMT2A
SCHEMBL4872096 0.67 GSK3B (0.38) MAPK1GSK3BMEN1KMT2A
SCHEMBL4872083 0.67 GSK3B (0.38) MAPK1GSK3BMEN1KMT2A

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