SCHEMBL14346528

SCHEMBL14346528

CCc1cnn2c(NCc3cccnc3)cc(N[C@H]3CCCC[C@H]3COC(=O)[C@H](N)C(C)C)nc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.49
▸ CCNE1 P24864 6/20 0.49
▸ GSK3B P49841 11/20 0.49
▸ CDK7 P50613 4/20 0.44
▸ CCNH P51946 3/20 0.44
▸ MNAT1 P51948 3/20 0.44
▸ CDK1 P06493 3/20 0.42
▸ CDK9 P50750 3/20 0.42
▸ CDK5 Q00535 3/20 0.42
▸ CHEK1 O14757 1/20 0.41
▸ CDK4 P11802 2/20 0.39
▸ CDK6 Q00534 2/20 0.39
▸ CDK8 P49336 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
SCHEMBL14364550 0.88 CDK2 (0.58) CDK2CCNE1GSK3BCDK7CCNH
SCHEMBL14364547 0.88 CDK2 (0.58) CDK2CCNE1GSK3BCDK7CCNH
SCHEMBL14346552 0.88 CDK2 (0.48) CDK2CCNE1GSK3BCDK7CCNH
SCHEMBL14346167 0.88 CDK2 (0.48) CDK2CCNE1GSK3BCDK7CCNH
SCHEMBL14364522 0.86 CDK2 (0.41) CDK2CCNE1GSK3BCDK7CCNH
SCHEMBL14346394 0.86 CDK2 (0.41) CDK2CCNE1GSK3BCDK7CCNH
SCHEMBL14364545 0.82 CDK2 (0.59) CDK2CCNE1GSK3BCDK7CCNH
SCHEMBL14364544 0.82 CDK2 (0.59) CDK2CCNE1GSK3BCDK7CCNH
SCHEMBL14346542 0.80 CDK2 (0.42) CDK2CCNE1GSK3BCDK7CCNH
SCHEMBL14346392 0.80 CDK2 (0.42) CDK2CCNE1GSK3BCDK7CCNH

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
WO-2007139732-A1 PYRAZOLO [1, 5-A] PYRIMIDINES AS CDK INHIBITORS SCHERING CORPORATION (US) 2007-12-06 — — WO disclosed
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