SCHEMBL17561764

SCHEMBL17561764

C[C@@H]1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncc(F)c2)C[C@@H]1O

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.89

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
SCHEMBL16860384 0.94 ABL1 (1.00) ABL1
SCHEMBL16860387 0.94 ABL1 (1.00) ABL1
SCHEMBL17561777 0.94 ABL1 (0.89) ABL1
SCHEMBL17561769 0.94 ABL1 (0.89) ABL1
SCHEMBL17561718 0.92 ABL1 (0.89) ABL1
SCHEMBL17561719 0.92 ABL1 (0.89) ABL1
SCHEMBL17561891 0.92 ABL1 (0.85) ABL1
SCHEMBL17561804 0.91 ABL1 (0.87) ABL1
SCHEMBL17561773 0.90 ABL1 (0.89) ABL1
SCHEMBL16860184 0.90 ABL1 (1.00) 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
US-9278981-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2016-03-08 — — US disclosed
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