SCHEMBL2913377

SCHEMBL2913377

CC(N)CNc1nc(NCc2c(O)cc(Cl)cc2O)c2c(n1)c(C(C)C)nn2C(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 3/20 0.35
CCNE1 P24864 4/20 0.34
CDK2 P24941 4/20 0.34
CCNE2 O96020 2/20 0.34
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
CCNT1 O60563 2/20 0.31
CDK9 P50750 2/20 0.31
CCNT2 O60583 1/20 0.31

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
SCHEMBL2904710 0.91 CDK2 (0.36) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL2912417 0.89 CCNE1 (0.33) BCDIN3DCCNE1CDK2CCNE2CCNA2
SCHEMBL2904144 0.85 CCNE1 (0.36) BCDIN3DCCNE1CDK2CCNE2CCNA2
SCHEMBL2945701 0.82 CDK2 (0.49) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL2910404 0.81 BCDIN3D (0.35) BCDIN3DCCNE1CDK2CCNE2CCNA2
SCHEMBL2911086 0.81 CCNE1 (0.36) BCDIN3DCCNE1CDK2CCNE2CCNA2
SCHEMBL2907796 0.81 CLK1 (0.43) BCDIN3DCCNE1CDK2CCNE2CCNA2
SCHEMBL2913808 0.80 CDK2 (0.35) CCNE1CDK2CCNE2CDK5CDK5R1
SCHEMBL2913278 0.80 SYK (0.34) BCDIN3DCCNE1CDK2CCNE2CCNA2
SCHEMBL2910096 0.80 CLK1 (0.40) BCDIN3DCDK5CDK5R1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348707-B1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy USTAV EX BOTAN AV CR V V I I O (CZ) 2010-08-25 EP disclosed
US-7745450-B2 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy INSTITUTE OF EXPERIMENTAL BOTANY (CZ) 2010-06-29 US disclosed
EP-1348707-A1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy Ustav Experimentalni Botaniky AV CR (Institute of Experimental Botany Academy of Sciences of the Czech Republic) (CZ) 2003-10-01 EP disclosed