SCHEMBL19545151

SCHEMBL19545151

O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(I)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.59

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
SCHEMBL19545144 0.91 TRPV1 (0.60) ABL1
SCHEMBL29421212 0.87 ABL1 (0.69) ABL1
SCHEMBL15388285 0.87 ABL1 (0.69) ABL1
SCHEMBL19544725 0.87 ABL1 (0.57) ABL1
SCHEMBL19545159 0.86 ABL1 (0.59) ABL1
SCHEMBL15388513 0.83 ABL1 (0.69) ABL1
SCHEMBL15390769 0.81 ABL1 (0.73) ABL1
SCHEMBL15391210 0.81 ABL1 (0.73) ABL1
SCHEMBL15390770 0.81 ABL1 (0.73) ABL1
SCHEMBL23664116 0.81 ABL1 (0.59) ABL1

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-2017186148-A1 NOVEL HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE BCR-ABL INHIBITORS ASTAR BIOTECH LLC (US) 2017-11-02 — — WO disclosed
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