SCHEMBL19904640

SCHEMBL19904640

C[C@H]1CN(c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cccnc2)C[C@@H]1C#N

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.75

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
SCHEMBL17561771 0.89 ABL1 (0.89) ABL1
SCHEMBL16860382 0.86 ABL1 (1.00) ABL1
SCHEMBL19904236 0.83 ABL1 (0.82) ABL1
SCHEMBL16860333 0.82 ABL1 (1.00) ABL1
SCHEMBL15391590 0.82 ABL1 (1.00) ABL1
SCHEMBL19904623 0.81 ABL1 (0.88) ABL1
SCHEMBL17561717 0.81 ABL1 (0.88) ABL1
SCHEMBL17561716 0.81 ABL1 (0.88) ABL1
SCHEMBL17561763 0.78 ABL1 (0.90) ABL1
SCHEMBL15393412 0.78 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
EP-2858988-B1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2018-02-28 — — EP disclosed
Send feedback