SCHEMBL13305688

SCHEMBL13305688

Bc1cnn2c(NCc3cccc(CNBOC)c3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.56
▸ CDK2 P24941 8/20 0.56
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CCNA2 P20248 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CCNE1 P24864 1/20 0.39

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
SCHEMBL12953627 0.90 GSK3B (0.70) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13305391 0.86 CDK2 (0.58) GSK3BCDK2MEN1KMT2ACCNA2
SCHEMBL13289612 0.86 CDK2 (0.60) GSK3BCDK2MEN1KMT2ACCNA2
SCHEMBL13288765 0.85 CDK2 (0.55) GSK3BCDK2MEN1KMT2ACCNA2
SCHEMBL12954177 0.85 CDK2 (0.73) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13289375 0.84 CDK2 (0.54) GSK3BCDK2MEN1KMT2ACCNA2
SCHEMBL13305338 0.83 CDK2 (0.79) GSK3BCDK2CCNE1
SCHEMBL13304818 0.82 CDK2 (0.58) GSK3BCDK2MEN1KMT2ACCNA2
SCHEMBL13289428 0.81 GSK3B (0.51) GSK3BCDK2MEN1KMT2ACCNA2
SCHEMBL13288974 0.81 CDK2 (0.52) GSK3BCDK2MEN1KMT2ACCNA2

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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