SCHEMBL19904417

SCHEMBL19904417

O=C(Nc1ccc(OC(F)(F)I)cc1)c1cnc(N2C[C@H](O)[C@@H](O)C2)c(-c2cncnc2)c1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.87
▸ KCNH2 Q12809 2/20 0.72

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
SCHEMBL16864649 0.93 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860448 0.93 ABL1 (1.00) ABL1KCNH2
SCHEMBL17561722 0.91 ABL1 (0.87) ABL1
SCHEMBL15393504 0.91 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860162 0.91 ABL1 (1.00) ABL1KCNH2
SCHEMBL15393508 0.91 ABL1 (1.00) ABL1KCNH2
SCHEMBL19904332 0.91 ABL1 (0.87) ABL1KCNH2
SCHEMBL19904338 0.89 ABL1 (0.74) ABL1KCNH2
SCHEMBL16864667 0.88 ABL1 (1.00) ABL1KCNH2
SCHEMBL17561719 0.87 ABL1 (0.89) 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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