SCHEMBL28381450

SCHEMBL28381450

Cc1ccc(NC(=O)c2ccccc2CCl)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.74
▸ PDGFRA P16234 12/20 0.74
▸ BCR P11274 9/20 0.74
▸ PDGFRB P09619 6/20 0.74
▸ KIT P10721 5/20 0.74
▸ PRKCA P17252 2/20 0.74
▸ EGFR P00533 2/20 0.73
▸ JAK3 P52333 1/20 0.65
▸ BTK Q06187 1/20 0.65
▸ ITK Q08881 1/20 0.65

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
SCHEMBL27841120 0.88 ABL1 (0.79) ABL1PDGFRABCRPDGFRBKIT
SCHEMBL3219529 0.87 ABL1 (0.77) ABL1PDGFRABCRPDGFRBKIT
SCHEMBL13492488 0.86 ABL1 (0.76) ABL1PDGFRABCRPDGFRBKIT
SCHEMBL20602916 0.86 ABL1 (0.77) ABL1PDGFRABCRPDGFRBKIT
SCHEMBL4897200 0.85 PDGFRA (0.88) ABL1PDGFRABCRPDGFRBKIT
SCHEMBL723757 0.85 PDGFRA (1.00) ABL1PDGFRABCRPDGFRBKIT
SCHEMBL9666 0.85 PDGFRA (1.00) ABL1PDGFRABCRPDGFRBKIT
SCHEMBL9782 0.85 PDGFRA (1.00) ABL1PDGFRABCRPDGFRBKIT
SCHEMBL29498750 0.85 PDGFRA (1.00) ABL1PDGFRABCRPDGFRBKIT
SCHEMBL1408817 0.84 ABL1 (0.74) ABL1PDGFRABCRPDGFRBKIT

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-111039921-A Synthesis process of imatinib and imatinib mesylate 杭州沧海帆医药科技有限公司 2020-04-21 — — CN disclosed
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