SCHEMBL19904308

SCHEMBL19904308

O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCOC2)c(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.63
▸ KCNH2 Q12809 1/20 0.53

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
SCHEMBL23664079 0.94 ABL1 (0.70) ABL1KCNH2
SCHEMBL19881052 0.91 ABL1 (0.55) ABL1KCNH2
SCHEMBL19545240 0.88 ABL1 (0.60) ABL1KCNH2
SCHEMBL23664116 0.88 ABL1 (0.59) ABL1KCNH2
SCHEMBL19881059 0.87 ABL1 (0.52) ABL1KCNH2
SCHEMBL15391445 0.87 ABL1 (0.70) ABL1KCNH2
SCHEMBL19904335 0.86 ABL1 (0.53) ABL1
SCHEMBL23664091 0.85 ABL1 (0.64) ABL1
SCHEMBL23664220 0.84 ABL1 (0.65) ABL1KCNH2
SCHEMBL21456915 0.84 ABL1 (0.65) 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