SCHEMBL12954142

SCHEMBL12954142

Bc1cnn2c(NCCCNS(=O)(=O)c3cc(Cl)ccc3Cl)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.43
▸ GSK3B P49841 5/20 0.42
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ CCR1 P32246 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALPL P05186 1/20 0.34
▸ GSR P00390 1/20 0.34

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
SCHEMBL13288981 0.93 CDK2 (0.46) CDK2GSK3BCCR1KDM4EMAPT
SCHEMBL13289301 0.91 CDK2 (0.46) CDK2GSK3BMEN1KMT2ACCR1
SCHEMBL13121099 0.90 CDK2 (0.56) CDK2GSK3BGAAMEN1KMT2A
SCHEMBL13289474 0.90 GSK3B (0.46) CDK2GSK3BGAAMEN1KMT2A
SCHEMBL13289466 0.88 GSK3B (0.43) CDK2GSK3BMEN1KMT2ACCR1
SCHEMBL13289251 0.88 CDK2 (0.45) CDK2GSK3BCCR1
SCHEMBL12954453 0.88 CDK2 (0.44) CDK2GSK3BMEN1KMT2APOLB
SCHEMBL13289243 0.88 GSK3B (0.46) CDK2GSK3BGAAMEN1KMT2A
SCHEMBL13289089 0.88 CDK2 (0.44) CDK2GSK3BMEN1KMT2ACCR1
SCHEMBL13289128 0.88 CDK2 (0.44) CDK2GSK3BPOLBCCR1MAPT

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-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
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