SCHEMBL17561805

SCHEMBL17561805

CC[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncc(F)c2)C1

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
SCHEMBL17561822 0.94 ABL1 (0.87) ABL1
SCHEMBL17561885 0.94 ABL1 (0.88) ABL1
SCHEMBL16860461 0.93 ABL1 (1.00) ABL1
SCHEMBL16860462 0.93 ABL1 (1.00) ABL1
SCHEMBL17561750 0.92 ABL1 (0.87) ABL1
SCHEMBL17561742 0.92 ABL1 (0.87) ABL1
SCHEMBL17561743 0.92 ABL1 (0.87) ABL1
SCHEMBL17561824 0.91 ABL1 (0.87) ABL1
SCHEMBL17561796 0.91 ABL1 (0.81) ABL1
SCHEMBL17561816 0.91 ABL1 (0.81) 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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