SCHEMBL19904236

SCHEMBL19904236

O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCCC2)c(-c2cccnc2)c1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.82
▸ OPRM1 P35372 1/20 0.64
▸ KCNH2 Q12809 1/20 0.64

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
SCHEMBL16860382 0.90 ABL1 (1.00) ABL1
SCHEMBL15391590 0.89 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860333 0.89 ABL1 (1.00) ABL1KCNH2
SCHEMBL17561738 0.87 ABL1 (0.86) ABL1KCNH2
SCHEMBL19904260 0.86 ABL1 (0.84) ABL1KCNH2
SCHEMBL17561894 0.86 ABL1 (0.84) ABL1KCNH2
SCHEMBL17561771 0.86 ABL1 (0.89) ABL1
SCHEMBL17561896 0.85 ABL1 (0.84) ABL1OPRM1KCNH2
SCHEMBL16714099 0.84 ABL1 (1.00) ABL1OPRM1KCNH2
SCHEMBL19904640 0.83 ABL1 (0.75) 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
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