SCHEMBL13305703

SCHEMBL13305703

Bc1cnn2c(NCc3ccc[n+]([O-])c3)cc(NC3CCC3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.49
▸ CDK9 P50750 7/20 0.49
▸ CDK5 Q00535 6/20 0.49
▸ CDK1 P06493 6/20 0.49
▸ CDK7 P50613 7/20 0.48
▸ GSK3B P49841 5/20 0.48
▸ CCNE1 P24864 5/20 0.48
▸ CCNH P51946 4/20 0.48
▸ MNAT1 P51948 4/20 0.48
▸ GSK3A P49840 2/20 0.48
▸ TAOK1 Q7L7X3 2/20 0.48
▸ CCNA2 P20248 2/20 0.48
▸ CCNA1 P78396 2/20 0.48
▸ CCNT1 O60563 2/20 0.48
▸ CDK4 P11802 2/20 0.48
▸ CCNB1 P14635 2/20 0.48
▸ CCND1 P24385 2/20 0.48
▸ CDK8 P49336 2/20 0.48
▸ CDK6 Q00534 2/20 0.48
▸ CDK5R1 Q15078 2/20 0.48

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
SCHEMBL12954265 0.89 CDK2 (0.61) CDK2CDK9CDK5CDK1CDK7
SCHEMBL13116921 0.87 CDK2 (0.61) CDK2CDK9CDK5CDK1CDK7
SCHEMBL12953834 0.85 CDK2 (0.63) CDK2CDK9CDK5CDK1CDK7
SCHEMBL14346177 0.84 MAPKAPK2 (0.42) CDK2CDK9CDK5CDK1CDK7
SCHEMBL12954560 0.83 GSK3B (0.56) CDK2GSK3BCCNE1MAPKAPK2
SCHEMBL13304680 0.79 CDK2 (0.60) CDK2CDK9CDK5CDK1CDK7
SCHEMBL13116922 0.78 CDK2 (0.57) CDK2CDK9CDK5CDK1CDK7
SCHEMBL13304828 0.77 CDK7 (0.52) CDK2CDK9CDK5CDK1CDK7
SCHEMBL12953465 0.77 CDK2 (0.55) CDK2CDK9CDK5CDK1CDK7
SCHEMBL14276459 0.77 CDK2 (0.55) CDK2CDK9CDK5CDK1CDK7

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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