SCHEMBL13288645

SCHEMBL13288645

Bc1cnn2c(NCc3ccc(CNC(=O)C4CCCCCC4)cc3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.54
▸ GSK3B P49841 4/20 0.49
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMO Q99835 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ WDR5 P61964 1/20 0.40
▸ ABL1 P00519 4/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL13119446 0.90 CDK2 (0.68) CDK2GSK3B
SCHEMBL13119519 0.90 CDK2 (0.68) CDK2GSK3B
SCHEMBL13119425 0.89 CDK2 (0.69) CDK2GSK3B
SCHEMBL14545262 0.89 CDK2 (0.45) CDK2GSK3BALDH1A1HPGDABL1
SCHEMBL13288881 0.88 CDK2 (0.50) CDK2GSK3BABL1
SCHEMBL14613294 0.88 CDK2 (0.46) CDK2GSK3BUSP2ALDH1A1HPGD
SCHEMBL14581634 0.88 CDK2 (0.49) CDK2GSK3BABL1
SCHEMBL13289143 0.87 CDK2 (0.54) CDK2GSK3BABL1MEN1KMT2A
SCHEMBL13288826 0.86 CDK2 (0.44) CDK2GSK3BALDH1A1ABL1MEN1
SCHEMBL13288866 0.86 CDK2 (0.59) CDK2GSK3BMEN1KMT2A

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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