SCHEMBL19904280

SCHEMBL19904280

O=C(Nc1ccc(C(F)(F)C(F)(F)Cl)cc1)c1cnc(N2CCOC2)c(-c2cncnc2)c1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.73
▸ KCNH2 Q12809 3/20 0.57

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
SCHEMBL19904273 0.86 ABL1 (0.73) ABL1KCNH2
SCHEMBL19904335 0.85 ABL1 (0.53) ABL1
SCHEMBL16860417 0.85 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860415 0.85 ABL1 (1.00) ABL1KCNH2
SCHEMBL19904289 0.85 ABL1 (0.73) ABL1
SCHEMBL17561770 0.83 ABL1 (0.85) ABL1KCNH2
SCHEMBL25705104 0.82 ABL1 (0.81) ABL1KCNH2
SCHEMBL19904328 0.81 ABL1 (0.79) ABL1KCNH2
SCHEMBL15392430 0.80 ABL1 (0.93) ABL1KCNH2
SCHEMBL19881088 0.79 ABL1 (0.47) ABL1

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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