SCHEMBL1836064

SCHEMBL1836064

O=C(O)C1CCCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.45
CAMKK2 Q96RR4 1/20 0.40
CYP2D6 P10635 2/20 0.39

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
SCHEMBL3891480 0.97 GSK3B (0.46) GSK3BCAMKK2CYP2D6
SCHEMBL4380719 0.90 GSK3B (0.44) GSK3BCAMKK2CYP2D6
SCHEMBL1834667 0.84 GSK3B (0.51) GSK3BCYP2D6
SCHEMBL2065123 0.83 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL1832336 0.83 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL1833143 0.82 GSK3B (0.46) GSK3BCYP2D6
SCHEMBL1834981 0.82 GSK3B (0.46) GSK3BCYP2D6
SCHEMBL1830440 0.81 GSK3B (0.47) GSK3BCYP2D6
SCHEMBL1833944 0.80 CYP1A2 (0.38) GSK3BCYP2D6
SCHEMBL1833092 0.80 GSK3B (0.47) 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-2321316-A1 SUBSTITUTED PYRIMIDIN-4-ONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2011-05-18 EP disclosed
WO-2009156865-A1 SUBSTITUTED PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-12-30 WO disclosed