SCHEMBL14346525

SCHEMBL14346525

Cc1cnn2c(NCc3ccc(=O)n(C)c3)cc(N[C@H]3CCCC[C@H]3CO)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 11/20 0.41
▸ CDK7 P50613 8/20 0.41
▸ CCNE1 P24864 5/20 0.41
▸ CCNH P51946 5/20 0.41
▸ MNAT1 P51948 5/20 0.41
▸ CDK9 P50750 9/20 0.41
▸ CDK1 P06493 7/20 0.41
▸ CDK5 Q00535 7/20 0.41
▸ TTK P33981 6/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CDK4 P11802 3/20 0.35
▸ CDK6 Q00534 3/20 0.35
▸ CDK8 P49336 2/20 0.35
▸ GSK3A P49840 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ TAOK1 Q7L7X3 2/20 0.34
▸ CCNA2 P20248 2/20 0.34
▸ CCNA1 P78396 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CCNT2 O60583 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
SCHEMBL14346499 0.91 GSK3B (0.43) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL12953797 0.91 CDK2 (0.49) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL14346498 0.90 TTK (0.48) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL14346520 0.86 CDK7 (0.41) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL14346497 0.86 CDK7 (0.41) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL14346522 0.85 CDK2 (0.41) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL14545811 0.82 GSK3B (0.52) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL12953697 0.79 CDK2 (0.47) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL14346391 0.79 CDK2 (0.44) CDK2CDK7CCNE1CCNHMNAT1
SCHEMBL14346178 0.79 CDK2 (0.44) CDK2CDK7CCNE1CCNHMNAT1

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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