SCHEMBL13998522

SCHEMBL13998522

Brc1cnn2c(Nc3ccccn3)cc(CC3CCCCC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.46
▸ CCND1 P24385 2/20 0.46
▸ CCND2 P30279 2/20 0.46
▸ CCND3 P30281 2/20 0.46
▸ GSK3B P49841 12/20 0.43
▸ CHEK1 O14757 1/20 0.42
▸ CDK2 P24941 5/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ HTR6 P50406 1/20 0.39
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPKAPK2 P49137 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
SCHEMBL13998480 0.83 GSK3B (0.46) GSK3BCDK2HTR6MAPKAPK2
SCHEMBL13998473 0.82 GSK3B (0.52) GSK3BCDK2HTR6
SCHEMBL13998479 0.78 GSK3B (0.47) CDK4CCND1CCND2CCND3GSK3B
SCHEMBL12953771 0.78 GSK3B (0.58) GSK3BCDK2
SCHEMBL12954010 0.77 GSK3B (0.73) GSK3BCDK2
SCHEMBL12953384 0.73 GSK3B (0.40) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL13305014 0.73 KDM4E (0.48) GSK3BHTR6NPC1RAB9A
SCHEMBL12953377 0.71 GSK3B (0.49) GSK3BCDK2
SCHEMBL14565205 0.71 KDM4E (0.42) HTR6NPC1RAB9A
SCHEMBL12953769 0.69 PDE9A (0.49) GSK3BCDK2HTR6NPC1RAB9A

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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