SCHEMBL31553098

SCHEMBL31553098

Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccc(C(=O)Nc5ccc(C)c(Nc6nccc(-c7cccnc7)n6)c5)cc4)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 16/20 0.94
▸ BCR P11274 13/20 0.94
▸ KIT P10721 12/20 0.94
▸ PDGFRA P16234 10/20 0.94
▸ PDGFRB P09619 4/20 0.94
▸ ABL2 P42684 3/20 0.94
▸ SRC P12931 2/20 0.94
▸ SYK P43405 2/20 0.94
▸ PLK4 O00444 1/20 0.94
▸ DDX3X O00571 1/20 0.94
▸ GAK O14976 1/20 0.94
▸ SLC22A2 O15244 1/20 0.94
▸ MAPK13 O15264 1/20 0.94
▸ CA12 O43570 1/20 0.94
▸ SLC22A3 O75751 1/20 0.94
▸ ABCB11 O95342 1/20 0.94
▸ EGFR P00533 1/20 0.94
▸ CA1 P00915 1/20 0.94
▸ CA2 P00918 1/20 0.94
▸ LMNA P02545 1/20 0.94

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
SCHEMBL12127861 0.98 ABL1 (0.90) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL3827 0.97 ABL1 (1.00) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL29351601 0.97 ABL1 (1.00) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL10074443 0.97 ABL1 (0.88) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL4394235 0.97 ABL1 (0.88) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL2236091 0.97 ABL1 (1.00) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL29355523 0.97 ABL1 (1.00) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL4394539 0.97 ABL1 (0.88) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL24301379 0.96 ABL1 (0.89) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL3138052 0.96 ABL1 (0.98) ABL1BCRKITPDGFRAPDGFRB

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-119798229-A Preparation method of imatinib dimer 中国食品药品检定研究院 2025-04-11 — — CN disclosed
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