SCHEMBL17561934

SCHEMBL17561934

CCCCN(C)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.74

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
SCHEMBL17561918 0.95 ABL1 (0.77) ABL1
SCHEMBL16860449 0.93 ABL1 (0.84) ABL1
SCHEMBL17561931 0.92 ABL1 (0.88) ABL1
SCHEMBL16860340 0.91 ABL1 (0.87) ABL1
SCHEMBL17561932 0.89 ABL1 (0.87) ABL1
SCHEMBL17561936 0.88 ABL1 (0.87) ABL1
SCHEMBL17561924 0.86 ABL1 (0.87) ABL1
SCHEMBL19904486 0.86 ABL1 (0.89) ABL1
SCHEMBL17561917 0.86 ABL1 (0.87) ABL1
SCHEMBL16860463 0.85 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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