SCHEMBL17561860

SCHEMBL17561860

CCC1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.81
▸ 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
SCHEMBL17561742 0.94 ABL1 (0.87) ABL1KCNH2
SCHEMBL17561743 0.94 ABL1 (0.87) ABL1KCNH2
SCHEMBL17561750 0.94 ABL1 (0.87) ABL1KCNH2
SCHEMBL17561861 0.93 ABL1 (0.88) ABL1KCNH2
SCHEMBL15391754 0.93 ABL1 (0.89) ABL1KCNH2
SCHEMBL17561864 0.92 ABL1 (0.81) ABL1KCNH2
SCHEMBL17561885 0.92 ABL1 (0.88) ABL1
SCHEMBL17561886 0.92 ABL1 (0.88) ABL1
SCHEMBL17561857 0.92 ABL1 (0.82) ABL1
SCHEMBL17561856 0.91 ABL1 (0.85) 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
Send feedback