SCHEMBL19544980

SCHEMBL19544980

O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(-c2cn[nH]c2)c(-c2cn[nH]c2)c1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.61

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
SCHEMBL19545253 0.92 ABL1 (0.63) ABL1
SCHEMBL19544804 0.91 ABL1 (0.62) ABL1
SCHEMBL19545171 0.84 ABL1 (0.81) ABL1
SCHEMBL19544758 0.84 ABL1 (0.66) ABL1
SCHEMBL19545168 0.82 ABL1 (0.71) ABL1
SCHEMBL19544768 0.80 ABL1 (0.68) ABL1
SCHEMBL19545182 0.80 ABL1 (0.65) ABL1
SCHEMBL19544760 0.79 ABL1 (0.68) ABL1
SCHEMBL19544730 0.79 ABL1 (0.71) ABL1
SCHEMBL19544754 0.79 ABL1 (0.73) 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
Send feedback