SCHEMBL12953741

SCHEMBL12953741

C=NS/C=C(\N)c1ccc(CNc2cc(C3CCN(C(=O)Nc4cccc(C#N)c4)CC3)nc3c(Br)cnn23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CCNE1 P24864 4/20 0.37
▸ CDK2 P24941 4/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ CCR2 P41597 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ NTRK1 P04629 2/20 0.35
▸ BMPR2 Q13873 2/20 0.35
▸ TBK1 Q9UHD2 2/20 0.35
▸ NUAK1 O60285 1/20 0.35
▸ STK16 O75716 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ NUAK2 Q9H093 1/20 0.35

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
SCHEMBL13118708 0.83 GSK3B (0.46) GSK3BKMT2AUSP2HPGDCASP7
SCHEMBL12953740 0.82 GSK3B (0.64) GSK3BCCNE1CDK2
SCHEMBL12953547 0.81 GSK3B (0.59) GSK3BCCNE1CDK2
SCHEMBL12953833 0.81 GSK3B (0.58) GSK3BCCNE1CDK2
SCHEMBL13118710 0.81 GSK3B (0.44) GSK3BKMT2AUSP2HPGDCASP7
SCHEMBL13121485 0.75 GSK3B (0.66) GSK3BCCNE1CDK2
SCHEMBL12953742 0.75 GSK3B (0.61) GSK3BCCNE1CDK2
SCHEMBL13305202 0.75 GSK3B (0.52) GSK3BKMT2AUSP2HPGDCASP7
SCHEMBL14561101 0.73 GSK3B (0.66) GSK3BCCNE1CDK2
SCHEMBL13121502 0.72 GSK3B (0.67) GSK3BCCNE1CDK2

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-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
WO-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
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