SCHEMBL13288841

SCHEMBL13288841

Cc1cnn2c(NCCCCNC(=O)CCc3ccccc3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.47
▸ CDK2 P24941 4/20 0.47
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ PYGL P06737 1/20 0.39
▸ TP53 P04637 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
SCHEMBL13289193 0.92 GSK3B (0.47) GSK3BCDK2HPGDMEN1KMT2A
SCHEMBL13120106 0.90 CDK2 (0.60) GSK3BCDK2HPGD
SCHEMBL13120027 0.88 CDK2 (0.60) GSK3BCDK2
SCHEMBL13305640 0.87 CDK2 (0.54) GSK3BCDK2HPGDMEN1KMT2A
SCHEMBL14545258 0.87 GSK3B (0.46) GSK3BCDK2HPGDMEN1KMT2A
SCHEMBL13288955 0.85 GSK3B (0.45) GSK3BCDK2HPGDMEN1KMT2A
SCHEMBL13120242 0.84 CDK2 (0.62) GSK3BCDK2
SCHEMBL13289249 0.83 GSK3B (0.46) GSK3BCDK2HPGDMEN1KMT2A
SCHEMBL13120102 0.81 CDK2 (0.61) GSK3BCDK2
SCHEMBL13288688 0.81 MAPT (0.45) GSK3BCDK2MEN1KMT2ALMNA

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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