SCHEMBL19904418

SCHEMBL19904418

CC(F)(F)Oc1ccc(NC(=O)c2cnc(N3CC[C@@H](N)C3)c(-c3cncnc3)c2)cc1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.89
▸ KCNH2 Q12809 3/20 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
SCHEMBL16860309 0.94 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860444 0.94 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860314 0.94 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860470 0.93 ABL1 (1.00) ABL1KCNH2
SCHEMBL15393346 0.93 ABL1 (1.00) ABL1KCNH2
SCHEMBL17561803 0.92 ABL1 (0.86) ABL1KCNH2
SCHEMBL17561722 0.88 ABL1 (0.87) ABL1
SCHEMBL19904276 0.88 ABL1 (0.80) ABL1KCNH2
SCHEMBL16864678 0.88 ABL1 (1.00) ABL1KCNH2
SCHEMBL19894588 0.88 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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