SCHEMBL13289063

SCHEMBL13289063

Bc1cnn2c(NCCNS(=O)(=O)c3ccccc3C)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.45
▸ CDK2 P24941 7/20 0.44
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ F13A1 P00488 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CCNA1 P78396 1/20 0.32

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
SCHEMBL13289466 0.95 GSK3B (0.43) GSK3BCDK2MEN1KMT2ACCR1
SCHEMBL14546009 0.92 CDK2 (0.46) GSK3BCDK2POLBALDH1A1FLT3
SCHEMBL13289547 0.91 CDK2 (0.46) GSK3BCDK2CCR1FLT3CCNA2
SCHEMBL13289373 0.91 GSK3B (0.42) GSK3BCDK2MEN1KMT2AFLT3
SCHEMBL13121203 0.90 GSK3B (0.59) GSK3BCDK2CCNA2CCNA1
SCHEMBL13289569 0.90 CDK2 (0.51) GSK3BCDK2CCNA2CCNA1
SCHEMBL13289272 0.88 GSK3B (0.48) GSK3BCDK2MEN1KMT2ALMNA
SCHEMBL13289128 0.88 CDK2 (0.44) GSK3BCDK2CCR1POLBALDH1A1
SCHEMBL13288981 0.88 CDK2 (0.46) GSK3BCDK2CCR1ALDH1A1FLT3
SCHEMBL13289301 0.88 CDK2 (0.46) GSK3BCDK2MEN1KMT2ACCR1

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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