SCHEMBL14012127

SCHEMBL14012127

Bc1cnn2c(Nc3ccncc3)cc(C3CCNCC3)nc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.49
▸ CHEK1 O14757 10/20 0.44
▸ MAPKAPK2 P49137 1/20 0.37
▸ ROCK1 Q13464 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ PLAT P00750 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 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
SCHEMBL14012147 0.89 GSK3B (0.55) GSK3BCHEK1MAPKAPK2ROCK1PLAT
SCHEMBL13998492 0.87 GSK3B (0.64) GSK3BCHEK1MAPKAPK2ROCK1PLAT
SCHEMBL13146410 0.79 GSK3B (0.79) GSK3BCHEK1
SCHEMBL13305175 0.77 GSK3B (0.48) GSK3BCHEK1
SCHEMBL13998541 0.77 GSK3B (0.71) GSK3BCHEK1MAPK1HTT
SCHEMBL13893782 0.76 GSK3B (0.57) GSK3BCHEK1MAPKAPK2PLAT
SCHEMBL13998511 0.74 GSK3B (0.67) GSK3BCHEK1
SCHEMBL14528738 0.74 CHEK1 (0.56) GSK3BCHEK1
SCHEMBL13305680 0.72 GSK3B (0.55) GSK3BCHEK1
SCHEMBL13885182 0.72 GSK3B (0.58) GSK3BCHEK1PLAT

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
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
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