Imatinib

Imatinib

SCHEMBL2829061

CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cl.N=C(N)N

nearest known ligand 0.93

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1BCRKITPDGFRB

The experimentally established mechanism targets of Imatinib. 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
ABL1 known ✓ P00519 20/20 0.93
BCR known ✓ P11274 14/20 0.93
KIT known ✓ P10721 12/20 0.93
PDGFRB known ✓ P09619 2/20 0.88
PDGFRA P16234 3/20 0.93
RAD52 P43351 1/20 0.93
ABL2 P42684 7/20 0.88
LYN P07948 3/20 0.88
SRC P12931 2/20 0.88
SYK P43405 2/20 0.88
PLK4 O00444 1/20 0.88
DDX3X O00571 1/20 0.88
GAK O14976 1/20 0.88
SLC22A2 O15244 1/20 0.88
MAPK13 O15264 1/20 0.88
CA12 O43570 1/20 0.88
SLC22A3 O75751 1/20 0.88
ABCB11 O95342 1/20 0.88
EGFR P00533 1/20 0.88
CA1 P00915 1/20 0.88

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
Imatinib SCHEMBL1439360 0.97 ABL1 (0.99) ABL1BCRKITPDGFRARAD52
Imatinib SCHEMBL1060852 0.97 ABL1 (1.00) ABL1BCRKITPDGFRARAD52
Imatinib SCHEMBL8217 0.97 ABL1 (1.00) ABL1BCRKITPDGFRARAD52
Imatinib SCHEMBL29377238 0.97 ABL1 (1.00) ABL1BCRKITPDGFRARAD52
Imatinib SCHEMBL15632914 0.97 ABL1 (1.00) ABL1BCRKITPDGFRARAD52
Imatinib SCHEMBL29370699 0.97 ABL1 (1.00) ABL1BCRKITPDGFRARAD52
Imatinib SCHEMBL726190 0.97 ABL1 (1.00) ABL1BCRKITPDGFRARAD52
Imatinib SCHEMBL1673189 0.97 ABL1 (1.00) ABL1BCRKITPDGFRARAD52
Imatinib SCHEMBL1440465 0.96 ABL1 (0.99) ABL1BCRKITPDGFRARAD52
Imatinib SCHEMBL5004429 0.95 ABL1 (0.97) ABL1BCRKITPDGFRARAD52

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-2010081443-A2 DOSAGE FORMS OF TYROSINE KINASE INHIBITORS ZENTIVA, K.S. (CZ) 2010-07-22 WO disclosed