SCHEMBL13998618

SCHEMBL13998618

O=C(OCc1ccccc1)N1CCC(c2cc(Nc3cccnc3)n3ncc(Br)c3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.54
▸ GRIN2B Q13224 5/20 0.54
▸ CYP2D6 P10635 4/20 0.54
▸ CYP2C9 P11712 4/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ TRPC3 Q13507 2/20 0.45
▸ TRPC7 Q9HCX4 2/20 0.45
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CCNE1 P24864 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13998619 0.93 GRIN2B (0.52) GSK3BGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL13998621 0.92 GSK3B (0.52) GSK3BGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL12953929 0.89 GSK3B (0.71) GSK3BCCNE1CDK2
SCHEMBL11931136 0.86 GSK3B (0.51) GSK3BGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL13885055 0.85 GSK3B (0.51) GSK3BGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL13998622 0.84 GSK3B (0.48) GSK3BGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL12953546 0.83 TRPC3 (0.53) GSK3BGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL12954092 0.83 GSK3B (0.49) GSK3BGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL13993128 0.82 TRPC3 (0.49) GSK3BGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL12953650 0.81 GSK3B (0.54) GSK3BGRIN2BCYP2D6CYP2C9TRPC3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470695-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2008-12-30 — — US disclosed
US-7470695-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2008-12-30 — — US disclosed
EP-1534709-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2007-06-13 — — EP disclosed
WO-2007044401-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-7196092-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-03-27 — — US disclosed
US-7196092-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-03-27 — — US disclosed
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