SCHEMBL13289193

SCHEMBL13289193

Cc1cnn2c(NCCCCNC(=O)Cc3ccccc3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.47
▸ CDK2 P24941 4/20 0.47
▸ BRD4 O60885 3/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL13288841 0.92 GSK3B (0.47) GSK3BCDK2MEN1KMT2AMAPT
SCHEMBL13120102 0.89 CDK2 (0.61) GSK3BCDK2
SCHEMBL13120015 0.88 CDK2 (0.61) GSK3BCDK2
SCHEMBL14545258 0.88 GSK3B (0.46) GSK3BCDK2BRD4MEN1KMT2A
SCHEMBL13288955 0.86 GSK3B (0.45) GSK3BCDK2MEN1KMT2AMAPT
SCHEMBL13120167 0.84 CDK2 (0.57) GSK3BCDK2
SCHEMBL13305640 0.84 CDK2 (0.54) GSK3BCDK2MEN1KMT2AMAPT
SCHEMBL13120234 0.84 CDK2 (0.63) GSK3BCDK2
SCHEMBL13120181 0.83 CDK2 (0.58) GSK3BCDK2MEN1KMT2AHPGD
SCHEMBL14545879 0.83 CDK2 (0.54) GSK3BCDK2MEN1KMT2AMAPT

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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