SCHEMBL17561926

SCHEMBL17561926

CCCNc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(C)nc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.68
▸ KCNH2 Q12809 1/20 0.64

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
SCHEMBL17561928 0.95 ABL1 (0.71) ABL1KCNH2
SCHEMBL16860439 0.93 ABL1 (0.73) ABL1KCNH2
SCHEMBL16860472 0.91 ABL1 (0.81) ABL1KCNH2
SCHEMBL17561922 0.88 ABL1 (0.82) ABL1KCNH2
SCHEMBL17561930 0.84 ABL1 (0.87) ABL1KCNH2
SCHEMBL17561927 0.83 ABL1 (0.85) ABL1KCNH2
SCHEMBL17561929 0.83 ABL1 (0.85) ABL1KCNH2
SCHEMBL17561916 0.82 ABL1 (0.84) ABL1
SCHEMBL17561932 0.81 ABL1 (0.87) ABL1
SCHEMBL16860198 0.81 ABL1 (1.00) 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
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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