SCHEMBL17561859

SCHEMBL17561859

CC1(C)CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.90
▸ KCNH2 Q12809 3/20 0.79

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
SCHEMBL15393253 0.95 ABL1 (1.00) ABL1KCNH2
SCHEMBL17561728 0.94 ABL1 (0.89) ABL1KCNH2
SCHEMBL17561862 0.92 ABL1 (0.91) ABL1KCNH2
SCHEMBL17561881 0.91 ABL1 (0.90) ABL1
SCHEMBL17561882 0.91 ABL1 (0.90) ABL1
SCHEMBL15393326 0.90 ABL1 (1.00) ABL1KCNH2
SCHEMBL15393327 0.90 ABL1 (1.00) ABL1KCNH2
SCHEMBL15393466 0.90 ABL1 (1.00) ABL1KCNH2
SCHEMBL17561729 0.90 ABL1 (0.86) ABL1KCNH2
SCHEMBL17561879 0.89 ABL1 (0.92) 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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