SCHEMBL13288941

SCHEMBL13288941

C=Cc1cnn2c(NCc3cccnc3)cc(C3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4)CC3)nc12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ GSK3B P49841 5/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ TP53 P04637 2/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL13289098 0.91 GSK3B (0.51) KMT2ATDP1GSK3BL3MBTL1POLB
SCHEMBL13120549 0.89 GSK3B (0.66) KMT2ATDP1GSK3BL3MBTL1POLB
SCHEMBL13289389 0.88 GSK3B (0.53) KMT2ATDP1GSK3BPOLBCHEK1
SCHEMBL13288942 0.82 GSK3B (0.53) GSK3BPOLBCHEK1
SCHEMBL13288944 0.82 GSK3B (0.48) KMT2ATDP1GSK3BPOLBNPC1
SCHEMBL13289383 0.82 GSK3B (0.52) TDP1GSK3BCHEK1
SCHEMBL13120600 0.81 GSK3B (0.62) KMT2ATDP1GSK3BL3MBTL1POLB
SCHEMBL13289102 0.81 GSK3B (0.50) GSK3BCHEK1
SCHEMBL13289113 0.81 GSK3B (0.51) GSK3BCHEK1
SCHEMBL13120532 0.81 GSK3B (0.66) GSK3B

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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