SCHEMBL14346178

SCHEMBL14346178

CCc1cnn2c(NCc3ccc(=O)n(C)c3)cc(NC3CCCC[C@H]3COC(=O)CN)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 14/20 0.44
▸ CDK9 P50750 9/20 0.44
▸ CDK1 P06493 7/20 0.44
▸ CDK5 Q00535 6/20 0.44
▸ CDK7 P50613 8/20 0.38
▸ CCNE1 P24864 8/20 0.37
▸ CCNH P51946 5/20 0.37
▸ MNAT1 P51948 5/20 0.37
▸ GSK3B P49841 3/20 0.37
▸ CDK4 P11802 3/20 0.37
▸ CDK6 Q00534 3/20 0.37
▸ GSK3A P49840 2/20 0.37
▸ TAOK1 Q7L7X3 2/20 0.37
▸ CDK12 Q9NYV4 2/20 0.37
▸ CDK8 P49336 2/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CCNA1 P78396 2/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CCNT2 O60583 1/20 0.37
▸ BRD4 O60885 1/20 0.37

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
SCHEMBL14346391 1.00 CDK2 (0.44) CDK2CDK9CDK1CDK5CDK7
SCHEMBL14346558 0.91 GSK3B (0.39) CDK2CDK9CDK1CDK5CDK7
SCHEMBL14346392 0.91 CDK2 (0.42) CDK2CDK9CDK1CDK5CDK7
SCHEMBL14346542 0.91 CDK2 (0.42) CDK2CDK9CDK1CDK5CDK7
SCHEMBL14364522 0.90 CDK2 (0.41) CDK2CDK9CDK1CDK5CDK7
SCHEMBL14346394 0.90 CDK2 (0.41) CDK2CDK9CDK1CDK5CDK7
SCHEMBL12953797 0.87 CDK2 (0.49) CDK2CDK9CDK1CDK5CDK7
SCHEMBL14364542 0.84 CDK2 (0.62) CDK2CDK9CDK1CDK5CDK7
SCHEMBL14346539 0.83 CDK2 (0.51) CDK2CDK9CDK1CDK5CDK7
SCHEMBL14346520 0.83 CDK7 (0.41) CDK2CDK9CDK1CDK5CDK7

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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