SCHEMBL19904350

SCHEMBL19904350

CCc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CCC(CN)C2)cn1

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.87

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
SCHEMBL17561799 0.94 ABL1 (0.90) ABL1
SCHEMBL16860483 0.93 ABL1 (1.00) ABL1
SCHEMBL16860481 0.93 ABL1 (1.00) ABL1
SCHEMBL16860395 0.92 ABL1 (1.00) ABL1
SCHEMBL16860398 0.92 ABL1 (1.00) ABL1
SCHEMBL16860397 0.92 ABL1 (1.00) ABL1
SCHEMBL17561788 0.91 ABL1 (0.87) ABL1
SCHEMBL16860205 0.90 ABL1 (0.84) ABL1
SCHEMBL16860203 0.90 ABL1 (0.84) ABL1
SCHEMBL17561801 0.89 ABL1 (0.87) 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
EP-2858988-B1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-02-28 — — EP disclosed
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