SCHEMBL8524913

SCHEMBL8524913

CC(C)N1C(=O)CCC(C)(C)c2cc(-c3csc(-c4ccnc(NC5CC5)c4)n3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 3/20 0.36
CDC25B P30305 3/20 0.36
CDC25C P30307 3/20 0.36
DUSP3 P51452 3/20 0.36
CCNK O75909 1/20 0.35
CDK9 P50750 1/20 0.35
MAPK14 Q16539 7/20 0.34
BACE1 P56817 2/20 0.34
PRKD1 Q15139 3/20 0.33
PRKD2 Q9BZL6 2/20 0.33
SREBF2 Q12772 2/20 0.33
CCNT1 O60563 2/20 0.33

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
SCHEMBL8524544 0.85 CYP19A1 (0.44) CDC25ACDC25BCDC25CDUSP3BACE1
SCHEMBL8525207 0.83 KDM4E (0.42) CDC25ACDC25BCDC25CDUSP3
SCHEMBL8524782 0.83 CYP19A1 (0.48) CDC25ACDC25BCDC25CDUSP3BACE1
SCHEMBL8525200 0.80 BACE1 (0.35) CDC25ACDC25BCDC25CDUSP3BACE1
SCHEMBL8524649 0.74 RARA (0.44) CDC25ACDC25BCDC25CDUSP3
SCHEMBL8524244 0.71 CDK5 (0.38)
SCHEMBL8524322 0.71 CDC25A (0.49) CDC25ACDC25BCDC25CDUSP3
SCHEMBL8524583 0.71 CDC25A (0.44) CDC25ACDC25BCDC25CDUSP3
SCHEMBL8524156 0.69 CDC25A (0.45) CDC25ACDC25BCDC25CDUSP3
SCHEMBL8524875 0.68 KDM4E (0.41) CDC25ACDC25BCDC25CDUSP3

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-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed