SCHEMBL13305175

SCHEMBL13305175

Bc1cnn2c(NCC#C)cc(C3CCNCC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.48
▸ CHEK1 O14757 13/20 0.41
▸ CDK2 P24941 4/20 0.38
▸ CCNA2 P20248 3/20 0.38
▸ CCNA1 P78396 3/20 0.38
▸ CDK1 P06493 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CCNH P51946 1/20 0.35
▸ MNAT1 P51948 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34

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
SCHEMBL12954291 0.87 GSK3B (0.63) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL13146410 0.78 GSK3B (0.79) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL14012127 0.77 GSK3B (0.49) GSK3BCHEK1
SCHEMBL12953644 0.76 GSK3B (0.62) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL13305680 0.76 GSK3B (0.55) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL13146206 0.74 GSK3B (0.51) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL14012147 0.74 GSK3B (0.55) GSK3BCHEK1
SCHEMBL13305324 0.74 GSK3B (0.51) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL13304620 0.73 GSK3B (0.50) GSK3BCHEK1CDK2CCNA2CCNA1
SCHEMBL13146324 0.69 GSK3B (0.77) GSK3BCHEK1CDK2CCNE1

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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