SCHEMBL13910846

SCHEMBL13910846

Cn1c(NCC(=O)c2cccc(CN3CCCC3)c2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 0.70
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HIF1A Q16665 1/20 0.43

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
SCHEMBL13910436 0.99 GSK3B (0.69) GSK3BCYP2D6CYP2C9HIF1A
SCHEMBL13910130 0.90 GSK3B (0.71) GSK3B
SCHEMBL14063476 0.89 GSK3B (0.69) GSK3B
SCHEMBL13721832 0.89 GSK3B (0.55) GSK3BCYP2D6CYP2C9HIF1A
SCHEMBL13721839 0.88 GSK3B (0.54) GSK3BCYP2D6CYP2C9HIF1A
SCHEMBL13910843 0.85 GSK3B (0.73) GSK3B
SCHEMBL14063480 0.85 GSK3B (0.69) GSK3B
SCHEMBL13910845 0.84 GSK3B (0.83) GSK3B
SCHEMBL4034257 0.83 GSK3B (1.00) GSK3B
SCHEMBL4028435 0.83 GSK3B (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427720-B1 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2009-03-04 — — EP disclosed
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