SCHEMBL14012147

SCHEMBL14012147

Bc1cnn2c(Nc3cccnc3)cc(C3CCNCC3)nc12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.55
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CHEK1 O14757 11/20 0.44
▸ PLAT P00750 1/20 0.38
▸ ROCK1 Q13464 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ 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
SCHEMBL14012127 0.89 GSK3B (0.49) GSK3BMAPK1HTTCHEK1PLAT
SCHEMBL13998541 0.88 GSK3B (0.71) GSK3BMAPK1HTTCHEK1
SCHEMBL13146410 0.83 GSK3B (0.79) GSK3BCHEK1
SCHEMBL13998535 0.77 GSK3B (0.70) GSK3BMAPK1HTTCHEK1
SCHEMBL13998492 0.77 GSK3B (0.64) GSK3BCHEK1PLATROCK1MAPKAPK2
SCHEMBL13998548 0.77 GSK3B (0.73) GSK3BCHEK1
SCHEMBL13146324 0.75 GSK3B (0.77) GSK3BCHEK1
SCHEMBL14492492 0.75 GSK3B (0.59) GSK3BMAPK1HTTMAPKAPK2
SCHEMBL13305175 0.74 GSK3B (0.48) GSK3BCHEK1
SCHEMBL13304869 0.73 GSK3B (0.77) GSK3BCHEK1

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 1 patent. 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
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