Venetoclax

Venetoclax

SCHEMBL19278845

CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1.Cl

nearest known ligand 0.99

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

BCL2

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

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCL2 known ✓ P10415 20/20 0.99
▸ BCL2L1 Q07817 4/20 0.99
▸ MCL1 Q07820 2/20 0.99
▸ BCL2L2 Q92843 2/20 0.99
▸ NSD2 O96028 1/20 0.99
▸ ADORA3 P0DMS8 1/20 0.99
▸ CYP2C9 P11712 1/20 0.99
▸ ADRA2C P18825 1/20 0.99
▸ SLC6A2 P23975 1/20 0.99
▸ BID P55957 1/20 0.99
▸ SLC6A3 Q01959 1/20 0.99
▸ ASPH Q12797 1/20 0.99
▸ BAD Q92934 1/20 0.99
▸ NSD1 Q96L73 1/20 0.99
▸ NSD3 Q9BZ95 1/20 0.99
▸ TMEM97 Q5BJF2 1/20 0.89

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
Venetoclax SCHEMBL523816 0.99 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2NSD2
Venetoclax SCHEMBL29801595 0.99 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2NSD2
Venetoclax SCHEMBL29360081 0.99 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2NSD2
Venetoclax SCHEMBL29390802 0.99 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2NSD2
Venetoclax SCHEMBL29353714 0.99 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2NSD2
Venetoclax SCHEMBL19278892 0.99 BCL2 (0.98) BCL2BCL2L1MCL1BCL2L2NSD2
Venetoclax SCHEMBL19278891 0.99 BCL2 (0.98) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL16038769 0.98 BCL2 (0.96) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL16038376 0.98 BCL2 (0.96) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL1699816 0.97 BCL2 (0.96) BCL2BCL2L1MCL1BCL2L2NSD2

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
EP-2643322-B1 SALTS AND CRYSTALLINE FORMS OF AN APOPTOSIS-INDUCING AGENT ABBVIE INC (US) 2017-08-30 — — EP claimed
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