SCHEMBL17561733

SCHEMBL17561733

CC1(C)CCN(c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.73
▸ KCNH2 Q12809 2/20 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
SCHEMBL15393525 0.94 ABL1 (0.78) ABL1KCNH2
SCHEMBL19904296 0.88 ABL1 (0.69) ABL1
SCHEMBL17561728 0.87 ABL1 (0.89) ABL1KCNH2
SCHEMBL16860331 0.85 ABL1 (1.00) ABL1
SCHEMBL15393105 0.85 ABL1 (1.00) ABL1
SCHEMBL15393412 0.85 ABL1 (1.00) ABL1
SCHEMBL16860161 0.83 ABL1 (1.00) ABL1KCNH2
SCHEMBL16860172 0.83 ABL1 (1.00) ABL1KCNH2
SCHEMBL15392647 0.83 ABL1 (1.00) ABL1KCNH2
SCHEMBL17561717 0.83 ABL1 (0.88) 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
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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