SCHEMBL19904232

SCHEMBL19904232

NC1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-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 0.71

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
SCHEMBL16864679 0.95 ABL1 (0.85) ABL1
SCHEMBL19904343 0.94 ABL1 (0.85) ABL1KCNH2
SCHEMBL16860445 0.93 ABL1 (1.00) ABL1
SCHEMBL16860309 0.92 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860314 0.92 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860444 0.92 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860366 0.92 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860364 0.92 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860304 0.90 ABL1 (0.85) ABL1KCNH2
SCHEMBL16860482 0.90 ABL1 (0.85) 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
Send feedback