SCHEMBL17561803

SCHEMBL17561803

C[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(C)(F)F)cc3)cc2-c2cncnc2)C1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.86
▸ KCNH2 Q12809 3/20 0.75

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
SCHEMBL17561741 0.94 ABL1 (0.84) ABL1KCNH2
SCHEMBL17561740 0.94 ABL1 (0.84) ABL1KCNH2
SCHEMBL17561735 0.94 ABL1 (0.84) ABL1KCNH2
SCHEMBL17561756 0.93 ABL1 (0.86) ABL1KCNH2
SCHEMBL17561762 0.93 ABL1 (0.85) ABL1KCNH2
SCHEMBL17561746 0.93 ABL1 (0.85) ABL1KCNH2
SCHEMBL17561745 0.93 ABL1 (0.85) ABL1KCNH2
SCHEMBL16860470 0.93 ABL1 (1.00) ABL1KCNH2
SCHEMBL15393346 0.93 ABL1 (1.00) ABL1KCNH2
SCHEMBL17561845 0.92 ABL1 (0.87) 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 2 patents. 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
US-9278981-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2016-03-08 — — US disclosed
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