SCHEMBL17561736

SCHEMBL17561736

Cc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2N2CC[C@@H](C)C2)cn1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.72

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
SCHEMBL17561789 0.93 ABL1 (0.80) ABL1
SCHEMBL15393280 0.92 ABL1 (0.85) ABL1
SCHEMBL16860330 0.92 ABL1 (0.85) ABL1
SCHEMBL17561734 0.88 ABL1 (0.81) ABL1
SCHEMBL16860488 0.85 ABL1 (0.83) ABL1
SCHEMBL16860489 0.85 ABL1 (0.83) ABL1
SCHEMBL16860452 0.84 ABL1 (1.00) ABL1
SCHEMBL16860451 0.84 ABL1 (1.00) ABL1
SCHEMBL16860261 0.82 ABL1 (1.00) ABL1
SCHEMBL17561776 0.82 ABL1 (0.86) 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
Send feedback