SCHEMBL13304614

SCHEMBL13304614

Bc1cnn2c(NCc3cccnc3)cc(N[C@H]3CCNC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.56
▸ CHEK1 O14757 1/20 0.51
▸ CDK2 P24941 5/20 0.46
▸ CDK7 P50613 4/20 0.46
▸ CCNE1 P24864 4/20 0.46
▸ CDK1 P06493 3/20 0.46
▸ CCNH P51946 3/20 0.46
▸ MNAT1 P51948 3/20 0.46
▸ CDK4 P11802 2/20 0.46
▸ CDK9 P50750 2/20 0.46
▸ CDK6 Q00534 2/20 0.46
▸ CDK5 Q00535 2/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ MAPKAPK2 P49137 1/20 0.44

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
SCHEMBL13304927 1.00 GSK3B (0.56) GSK3BCHEK1CDK2CDK7CCNE1
SCHEMBL12952900 0.89 GSK3B (0.71) GSK3BCDK2CCNE1
SCHEMBL12952850 0.89 GSK3B (0.71) GSK3BCDK2CCNE1
SCHEMBL14545791 0.89 GSK3B (0.56) GSK3BCHEK1CDK2CDK7CCNE1
SCHEMBL12954560 0.88 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1MAPKAPK2
SCHEMBL13289627 0.84 GSK3B (0.54) GSK3BCDK2CCNE1MAPKAPK2
SCHEMBL14545294 0.83 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL13146283 0.83 GSK3B (0.81) GSK3BCHEK1CDK2CCNE1CDK9
SCHEMBL13146410 0.82 GSK3B (0.79) GSK3BCHEK1CDK2CCNE1
SCHEMBL12954504 0.82 GSK3B (0.56) GSK3BCDK2CDK7CCNE1CDK1

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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