SCHEMBL19904449

SCHEMBL19904449

O=C(Nc1ccc(OC(F)(F)I)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncc(F)c2)c1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.88
▸ KCNH2 Q12809 2/20 0.74

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
SCHEMBL19904336 0.94 ABL1 (0.88) ABL1KCNH2
SCHEMBL16860364 0.94 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860366 0.94 ABL1 (1.00) ABL1KCNH2
SCHEMBL16864663 0.92 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860322 0.92 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860152 0.92 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860355 0.92 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860353 0.92 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860155 0.92 ABL1 (1.00) ABL1KCNH2
SCHEMBL19904332 0.92 ABL1 (0.87) 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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