SCHEMBL13288769

SCHEMBL13288769

Bc1cnn2c(NCc3ccc(CNC(=O)c4cc(Cl)cc(Cl)c4)cc3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.55
▸ GSK3B P49841 5/20 0.51
▸ PDE2A O00408 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ CYP1A1 P04798 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CCNA2 P20248 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CCNE1 P24864 1/20 0.37

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
SCHEMBL13288668 0.93 CDK2 (0.55) CDK2GSK3BPDE2APDE10ACYP1A1
SCHEMBL13288768 0.90 CDK2 (0.54) CDK2GSK3BMEN1NPC1RAB9A
SCHEMBL13288882 0.90 CDK2 (0.54) CDK2GSK3BPDE2APDE10A
SCHEMBL13119501 0.90 CDK2 (0.70) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13288775 0.88 CDK2 (0.52) CDK2GSK3BPDE2APDE10A
SCHEMBL13289148 0.88 CDK2 (0.52) CDK2GSK3BPDE2APDE10ACCNA2
SCHEMBL13288866 0.87 CDK2 (0.59) CDK2GSK3BCCNA2CCNA1MEN1
SCHEMBL13289144 0.86 CDK2 (0.54) CDK2GSK3BHPGDMEN1NPC1
SCHEMBL13288782 0.86 CDK2 (0.54) CDK2GSK3BHPGDMEN1NPC1
SCHEMBL13288712 0.86 CDK2 (0.50) CDK2GSK3BPDE2APDE10AHPGD

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
EP-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
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