SCHEMBL19904371

SCHEMBL19904371

Nc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CCCC2)cc1F

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.81
▸ KCNH2 Q12809 1/20 0.61

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
SCHEMBL19904305 0.93 ABL1 (0.82) ABL1KCNH2
SCHEMBL16864666 0.90 ABL1 (1.00) ABL1KCNH2
SCHEMBL19904323 0.87 ABL1 (0.80) ABL1KCNH2
SCHEMBL19904234 0.86 ABL1 (0.81) ABL1
SCHEMBL19904235 0.86 ABL1 (0.81) ABL1KCNH2
SCHEMBL19904272 0.85 ABL1 (0.79) ABL1KCNH2
SCHEMBL22725543 0.85 ABL1 (0.67) ABL1KCNH2
SCHEMBL22837852 0.84 ABL1 (0.65) ABL1KCNH2
SCHEMBL15393010 0.83 ABL1 (1.00) ABL1KCNH2
SCHEMBL21477612 0.83 ABL1 (0.69) 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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