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SCHEMBL3402201

SCHEMBL3402201

O=c1cc(-c2ccncn2)nc2n1CCOCC2NCc1cccc2c1OCO2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 17/20 0.35
▸ CYP2D6 P10635 7/20 0.35
▸ CYP1A2 P05177 4/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ EED O75530 1/20 0.33
▸ ATM Q13315 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
SCHEMBL926835 0.83 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL3403112 0.83 GSK3B (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL3403341 0.82 GSK3B (0.40) GSK3BCYP2D6CYP1A2
SCHEMBL3397058 0.81 GSK3B (0.40) GSK3BCYP2D6CYP1A2
SCHEMBL3400852 0.80 GSK3B (0.37) GSK3BCYP2D6CYP1A2
SCHEMBL3402376 0.78 GSK3B (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL3397045 0.78 GSK3B (0.42) GSK3BCYP2D6CYP1A2
SCHEMBL3398624 0.78 GSK3B (0.40) GSK3BCYP2D6CYP1A2
SCHEMBL3403465 0.78 GSK3B (0.48) GSK3BCYP2D6CYP1A2
SCHEMBL3403567 0.78 GSK3B (0.40) GSK3BCYP2D6CYP1A2

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-2247598-A1 SUBSTITUTED HETEROARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2010-11-10 — — EP disclosed
WO-2009095787-A1 SUBSTITUTED HETEROARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 — — WO disclosed