SCHEMBL14545834

SCHEMBL14545834

Bc1cnn2c(NCCNC(=O)c3ccccc3OC)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.44
▸ CDK2 P24941 2/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ CFTR P13569 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BRD4 O60885 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
SCHEMBL13288948 0.95 BRD4 (0.45) GSK3BCDK2KMT2AMEN1L3MBTL1
SCHEMBL14545832 0.90 CDK2 (0.48) GSK3BCDK2L3MBTL1ALDH1A1MAPK1
SCHEMBL13120243 0.90 GSK3B (0.57) GSK3BCDK2KMT2AMEN1POLB
SCHEMBL13288648 0.89 CDK2 (0.51) GSK3BCDK2KMT2AMEN1POLB
SCHEMBL13120107 0.85 GSK3B (0.55) GSK3BCDK2L3MBTL1ALDH1A1BRD4
SCHEMBL13120028 0.85 GSK3B (0.55) GSK3BCDK2KMT2AMEN1CFTR
SCHEMBL13289584 0.85 MEN1 (0.44) GSK3BCDK2KMT2AMEN1POLB
SCHEMBL13288897 0.85 CDK2 (0.43) GSK3BCDK2KMT2AMEN1POLB
SCHEMBL13289615 0.84 GSK3B (0.45) GSK3BCDK2KMT2AMEN1
SCHEMBL13289559 0.84 ALDH1A1 (0.48) GSK3BCDK2KMT2AMEN1L3MBTL1

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
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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