SCHEMBL19904260

SCHEMBL19904260

O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCCCC2)c(-c2cccnc2)c1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.84
▸ KCNH2 Q12809 1/20 0.70

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
SCHEMBL17561894 1.00 ABL1 (0.84) ABL1KCNH2
SCHEMBL17561738 0.99 ABL1 (0.86) ABL1KCNH2
SCHEMBL16860308 0.92 ABL1 (0.79) ABL1KCNH2
SCHEMBL16860219 0.92 ABL1 (1.00) ABL1KCNH2
SCHEMBL17561902 0.91 ABL1 (0.84) ABL1KCNH2
SCHEMBL17561897 0.91 ABL1 (0.84) ABL1KCNH2
SCHEMBL16860169 0.90 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860168 0.90 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860276 0.90 ABL1 (1.00) ABL1KCNH2
SCHEMBL15392972 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
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