SCHEMBL13998622

SCHEMBL13998622

O=C(OCc1ccccc1)N1CCCC(c2cc(Nc3ccncc3)n3ncc(Br)c3n2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.48
▸ CYP2D6 P10635 4/20 0.46
▸ CYP2C9 P11712 4/20 0.46
▸ GRIN2B Q13224 4/20 0.46
▸ JAK2 O60674 2/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ TYK2 P29597 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ CYP3A4 P08684 3/20 0.41
▸ USP30 Q70CQ3 1/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ TRPC3 Q13507 2/20 0.39
▸ TRPC7 Q9HCX4 2/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ BCL9 O00512 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38

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
SCHEMBL13998621 0.93 GSK3B (0.52) GSK3BCYP2D6CYP2C9GRIN2BJAK2
SCHEMBL13998619 0.91 GRIN2B (0.52) GSK3BCYP2D6CYP2C9GRIN2BJAK2
SCHEMBL13885057 0.90 GSK3B (0.49) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL13885699 0.88 GSK3B (0.43) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL12954179 0.87 GSK3B (0.67) GSK3BCDK2
SCHEMBL14528946 0.87 GSK3B (0.41) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL11931133 0.85 GSK3B (0.49) GSK3BCYP2D6CYP2C9GRIN2BJAK2
SCHEMBL12953232 0.84 TRPC3 (0.44) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL12953255 0.84 CHEK1 (0.48) GSK3BJAK2JAK1TYK2JAK3
SCHEMBL13998618 0.84 GSK3B (0.54) GSK3BCYP2D6CYP2C9GRIN2BCYP3A4

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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