SCHEMBL19520182

SCHEMBL19520182

Cn1nccc1-c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1ccc(NN)nc1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.55

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
SCHEMBL19520527 0.93 ABL1 (0.56) ABL1
SCHEMBL19545249 0.90 ABL1 (0.56) ABL1
SCHEMBL19544742 0.90 ABL1 (0.57) ABL1
SCHEMBL19520184 0.89 ABL1 (0.52) ABL1
SCHEMBL19520433 0.87 ABL1 (0.55) ABL1
SCHEMBL19545176 0.87 ABL1 (0.67) ABL1
SCHEMBL19520249 0.87 ABL1 (0.50) ABL1
SCHEMBL19520495 0.86 ABL1 (0.60) ABL1
SCHEMBL19544809 0.83 ABL1 (0.52) ABL1
SCHEMBL19544808 0.82 ABL1 (0.54) 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 2 patents. 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
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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