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Sugi Predict / Compounds / SCHEMBL7003366

SCHEMBL7003366

SCHEMBL7003366

CC(c1ccccc1O)N1CCCn2c1nc(-c1ccncn1)c(Cl)c2=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.33
▸ GSK3B P49841 7/20 0.32
▸ MAPKAPK2 P49137 1/20 0.31
▸ BRAF P15056 1/20 0.30
▸ PIK3CA P42336 1/20 0.30

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
SCHEMBL7003368 0.80 MAPK1 (0.39) GSK3B
SCHEMBL3573567 0.74 MEN1 (0.35) GSK3B
SCHEMBL3573572 0.74 MEN1 (0.35) GSK3B
SCHEMBL3573569 0.74 MEN1 (0.35) GSK3B
SCHEMBL7002558 0.69 GSK3B (0.35) GSK3B
SCHEMBL3577522 0.67 KDM4E (0.45) GSK3B
SCHEMBL3566871 0.65 GSK3B (0.49) GSK3B
SCHEMBL3568873 0.65 GSK3B (0.46) GSK3B
SCHEMBL3568036 0.63 DPP4 (0.38) GSK3B
SCHEMBL4872096 0.60 GSK3B (0.38) GSK3B

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