SCHEMBL19904419

SCHEMBL19904419

CN(C)[C@H]1CN(c2ncc(C(=O)Nc3ccc(OC(C)(F)F)cc3)cc2-c2cncnc2)C[C@@H]1O

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.90
▸ KCNH2 Q12809 1/20 0.65

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
SCHEMBL15393494 0.94 ABL1 (1.00) ABL1KCNH2
SCHEMBL16864703 0.93 ABL1 (1.00) ABL1KCNH2
SCHEMBL17561722 0.93 ABL1 (0.87) ABL1
SCHEMBL25735757 0.90 ABL1 (0.79) ABL1KCNH2
SCHEMBL16860184 0.87 ABL1 (1.00) ABL1
SCHEMBL16860448 0.86 ABL1 (1.00) ABL1KCNH2
SCHEMBL16864649 0.86 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860470 0.85 ABL1 (1.00) ABL1KCNH2
SCHEMBL15393346 0.85 ABL1 (1.00) ABL1KCNH2
SCHEMBL16864668 0.85 ABL1 (1.00) ABL1KCNH2

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
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