SCHEMBL13304840

SCHEMBL13304840

CBc1cnn2c(Cl)cc(C3CCCCC3)nc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PSD A5PKW4 2/20 0.36
▸ TLR8 Q9NR97 1/20 0.35
▸ CHEK1 O14757 7/20 0.34
▸ CCNA2 P20248 6/20 0.34
▸ CDK2 P24941 6/20 0.34
▸ CCNA1 P78396 6/20 0.34
▸ CTSK P43235 3/20 0.33
▸ CTSS P25774 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13305063 0.82 PSD (0.40) GSK3BALDH1A1MAPTSMN1; SMN2PSD
SCHEMBL12953240 0.80 GSK3B (0.55) GSK3BALDH1A1MAPTSMN1; SMN2PSD
SCHEMBL13304791 0.80 GSK3B (0.39) GSK3BALDH1A1MAPTSMN1; SMN2PSD
SCHEMBL12953531 0.79 CHEK1 (0.55) GSK3BALDH1A1MAPTSMN1; SMN2PSD
SCHEMBL14516424 0.75 CHEK1 (0.58) CHEK1CCNA2CDK2CCNA1
SCHEMBL13305054 0.73 TRPC3 (0.53) ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL29174808 0.71 ALDH1A1 (0.41) GSK3BALDH1A1MAPTSMN1; SMN2CHEK1
SCHEMBL5466448 0.69 PDE10A (0.56) GSK3BALDH1A1SMN1; SMN2PSDCHEK1
SCHEMBL13298010 0.68 KDM4E (0.41) PSDTLR8CTSKCTSSKDM4E
SCHEMBL13305024 0.68 HSP90AA1 (0.41) GSK3BALDH1A1MAPTKDM4E

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-1537116-B1 PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES SCHERING CORP (US) 2010-06-02 — — EP disclosed
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