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SCHEMBL20121571

SCHEMBL20121571

CC(C)C1=NC(=O)Cn2c1nc(-c1ccc(F)cc1)c2Nc1ccc(Cl)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 12/20 0.51
▸ CYP3A4 P08684 1/20 0.35
▸ RAPGEF4 Q8WZA2 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ KCNK3 O14649 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL20121614 0.89 KCNH2 (0.49) KCNH2CYP3A4
SCHEMBL20121585 0.89 KCNH2 (0.54) KCNH2CYP3A4RAPGEF4AXLKCNK3
SCHEMBL20121615 0.76 KCNH2 (0.52) KCNH2CYP3A4
SCHEMBL1051425 0.75 KCNH2 (0.50) KCNH2CYP3A4AXL
SCHEMBL20121581 0.75 KCNH2 (0.50) KCNH2CYP3A4AXL
SCHEMBL1051207 0.75 KCNH2 (0.50) KCNH2CYP3A4AXL
SCHEMBL1050163 0.73 KCNH2 (0.52) KCNH2CYP3A4RAPGEF4AXLKCNK3
SCHEMBL1050256 0.73 KCNH2 (0.52) KCNH2CYP3A4RAPGEF4AXLKCNK3
SCHEMBL1048591 0.73 KCNH2 (0.54) KCNH2CYP3A4AXLIDO1TDO2
SCHEMBL12952283 0.73 KCNH2 (0.75) KCNH2CYP3A4KCNK3

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-9963454-B2 Compounds and compositions for the treatment of parasitic disease NOVARTIS AG (CH) 2018-05-08 — — US disclosed