Alvocidib

Alvocidib

SCHEMBL28199338

CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1.CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CDK1CDK2CDK4CDK6CDK7CDK9

The experimentally established mechanism targets of Alvocidib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 known ✓ P24941 14/20 1.00
CDK4 known ✓ P11802 12/20 1.00
CDK1 known ✓ P06493 11/20 1.00
CDK9 known ✓ P50750 10/20 1.00
CDK7 known ✓ P50613 3/20 1.00
CDK6 known ✓ Q00534 2/20 1.00
CCND1 P24385 11/20 1.00
CCNB1 P14635 9/20 1.00
CCNT1 O60563 9/20 1.00
CCNA2 P20248 8/20 1.00
CCNB2 O95067 6/20 1.00
CCNB3 Q8WWL7 6/20 1.00
CCNE1 P24864 6/20 1.00
GSK3A P49840 4/20 1.00
CCNE2 O96020 4/20 1.00
GSK3B P49841 3/20 1.00
CCNA1 P78396 3/20 1.00
PLK4 O00444 2/20 1.00
PRKD3 O94806 2/20 1.00
EGFR P00533 2/20 1.00

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
Alvocidib SCHEMBL5868074 1.00 CDK2 (1.00) CDK2CDK4CDK1CCND1CDK9
Alvocidib SCHEMBL29351027 1.00 CDK2 (1.00) CDK2CDK4CDK1CCND1CDK9
Alvocidib SCHEMBL29577824 1.00 CDK2 (1.00) CDK2CDK4CDK1CCND1CDK9
Alvocidib SCHEMBL12445809 1.00 CDK2 (1.00) CDK2CDK4CDK1CCND1CDK9
Alvocidib SCHEMBL29388553 1.00 CDK2 (1.00) CDK2CDK4CDK1CCND1CDK9
Alvocidib SCHEMBL3652 1.00 CDK2 (1.00) CDK2CDK4CDK1CCND1CDK9
Alvocidib SCHEMBL8214028 1.00 CDK2 (1.00) CDK2CDK4CDK1CCND1CDK9
Alvocidib SCHEMBL3651 1.00 CDK2 (1.00) CDK2CDK4CDK1CCND1CDK9
Alvocidib SCHEMBL16927354 1.00 CDK2 (1.00) CDK2CDK4CDK1CCND1CDK9
Flavopyridol SCHEMBL22580715 1.00 CDK2 (1.00) CDK2CDK4CDK1CCND1CDK9

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
CN-107531759-A Non-film destructiveness p53 activation bookbinding peptides 新加坡科技研究局 2018-01-02 CN disclosed