SCHEMBL17561795

SCHEMBL17561795

CC[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccc(C)nc2)C1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.88

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
SCHEMBL17561797 1.00 ABL1 (0.88) ABL1
SCHEMBL17561890 0.94 ABL1 (0.89) ABL1
SCHEMBL17561747 0.94 ABL1 (0.88) ABL1
SCHEMBL16860149 0.94 ABL1 (1.00) ABL1
SCHEMBL16860151 0.94 ABL1 (1.00) ABL1
SCHEMBL16860455 0.94 ABL1 (1.00) ABL1
SCHEMBL16860395 0.93 ABL1 (1.00) ABL1
SCHEMBL16860398 0.93 ABL1 (1.00) ABL1
SCHEMBL16860397 0.93 ABL1 (1.00) ABL1
SCHEMBL17561799 0.92 ABL1 (0.90) 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