SCHEMBL14560619

SCHEMBL14560619

O=C(NC1CC2CCN1CC2)c1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.62
▸ CDK2 P24941 15/20 0.61
▸ CCNA2 P20248 1/20 0.53
▸ CCNA1 P78396 1/20 0.53
▸ CCNE1 P24864 7/20 0.45

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
SCHEMBL12953507 0.88 GSK3B (0.69) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953764 0.87 GSK3B (0.67) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953016 0.87 GSK3B (0.67) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12954287 0.84 GSK3B (0.68) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953523 0.84 GSK3B (0.61) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953012 0.83 GSK3B (0.74) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953524 0.83 GSK3B (0.77) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12954199 0.82 GSK3B (0.73) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953490 0.82 GSK3B (0.81) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953663 0.82 GSK3B (0.72) GSK3BCDK2CCNA2CCNA1CCNE1

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-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — US disclosed
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