SCHEMBL13288782

SCHEMBL13288782

Bc1cnn2c(NCc3ccc(CNC(=O)c4cccs4)cc3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.54
▸ GSK3B P49841 5/20 0.49
▸ HPGD P15428 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL13119435 0.90 CDK2 (0.68) CDK2GSK3B
SCHEMBL14581633 0.89 CDK2 (0.49) CDK2GSK3BMEN1KMT2APOLB
SCHEMBL13288887 0.88 CDK2 (0.51) CDK2GSK3B
SCHEMBL13288772 0.87 CDK2 (0.53) CDK2GSK3BHPGDMEN1KMT2A
SCHEMBL13288680 0.87 CDK2 (0.44) CDK2GSK3BHPGDMEN1KMT2A
SCHEMBL13288775 0.87 CDK2 (0.52) CDK2GSK3BKDM4E
SCHEMBL13288668 0.86 CDK2 (0.55) CDK2GSK3BHPGDMEN1KMT2A
SCHEMBL13288769 0.86 CDK2 (0.55) CDK2GSK3BHPGDMEN1KMT2A
SCHEMBL13288866 0.86 CDK2 (0.59) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13119303 0.85 CDK2 (0.64) CDK2GSK3B

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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