Vinblastine

Vinblastine

SCHEMBL28131624

CC[C@]1(O)C[C@H]2C[N@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O.O=S(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8

The experimentally established mechanism targets of Vinblastine. 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
TUBB4A known ✓ P04350 6/20 1.00
TUBB known ✓ P07437 6/20 1.00
TUBA3C known ✓ P0DPH7 6/20 1.00
TUBA1B known ✓ P68363 6/20 1.00
TUBA4A known ✓ P68366 6/20 1.00
TUBB4B known ✓ P68371 6/20 1.00
TUBB3 known ✓ Q13509 6/20 1.00
TUBB2A known ✓ Q13885 6/20 1.00
TUBB8 known ✓ Q3ZCM7 6/20 1.00
TUBA3E known ✓ Q6PEY2 6/20 1.00
TUBA1A known ✓ Q71U36 6/20 1.00
TUBA1C known ✓ Q9BQE3 6/20 1.00
TUBB6 known ✓ Q9BUF5 6/20 1.00
TUBB2B known ✓ Q9BVA1 6/20 1.00
TUBB1 known ✓ Q9H4B7 6/20 1.00
MAPT P10636 8/20 1.00
MEN1 O00255 7/20 1.00
KMT2A Q03164 7/20 1.00
LMNA P02545 6/20 1.00
CYP3A4 P08684 6/20 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
Vinblastine SCHEMBL2923482 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNATUBB4A
Vinblastine SCHEMBL3549 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNATUBB4A
Vinblastine SCHEMBL29357903 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNATUBB4A
Vinblastine SCHEMBL3550 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNATUBB4A
Vinblastine SCHEMBL5535862 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNATUBB4A
Vinblastine SCHEMBL29594152 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNATUBB4A
Vinblastine SCHEMBL29554704 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNATUBB4A
Vinblastine SCHEMBL6340124 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNATUBB4A
Vinblastine SCHEMBL29879166 1.00 MAPT (1.00) MAPTMEN1KMT2ALMNATUBB4A
Vinblastine SCHEMBL5306718 0.99 MAPT (0.99) MAPTMEN1KMT2ALMNATUBB4A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107427498-A Pharmaceutical formulation of bruton's tyrosine kinase inhibitor 药品循环有限责任公司 2017-12-01 CN disclosed
CN-107073115-A Methods of treating multiple myeloma with immunomodulatory compounds in combination with antibodies 细胞基因公司 2017-08-18 CN disclosed
CN-107002043-A The survivin specific t-cell receptor of target tumor and non-T cell 贝勒医学院 2017-08-01 CN disclosed
CN-106714804-A Biomarkers for predicting response of dlbcl to treatment with a btk inhibitor 药品循环有限责任公司 2017-05-24 CN disclosed
CN-106714909-A Bruton's tyrosine kinase inhibitor combination and application thereof 药品循环有限责任公司 2017-05-24 CN disclosed
CN-106488767-A Adjust the method and composition of ERs mutant 豪夫迈·罗氏有限公司 2017-03-08 CN disclosed