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SCHEMBL997258

SCHEMBL997258

NC(C=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(Cl)c(F)c2)C1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 13/20 0.65
▸ CYP3A4 P08684 1/20 0.38
▸ RPS6KB1 P23443 2/20 0.33
▸ TDO2 P48775 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ AXL P30530 1/20 0.31

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
SCHEMBL998632 0.85 KCNH2 (0.62) KCNH2CYP3A4
SCHEMBL997952 0.84 KCNH2 (0.63) KCNH2CYP3A4AXL
SCHEMBL997620 0.84 KCNH2 (0.57) KCNH2CYP3A4
SCHEMBL999114 0.83 KCNH2 (0.59) KCNH2CYP3A4
SCHEMBL997524 0.82 KCNH2 (0.61) KCNH2CYP3A4AXL
SCHEMBL997932 0.82 KCNH2 (0.63) KCNH2CYP3A4AXL
SCHEMBL1049359 0.81 KCNH2 (0.76) KCNH2CYP3A4
SCHEMBL1079300 0.81 KCNH2 (0.76) KCNH2CYP3A4
SCHEMBL1047292 0.80 KCNH2 (0.74) KCNH2CYP3A4
SCHEMBL997523 0.79 KCNH2 (0.73) KCNH2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451814-A2 FUSED IMIDAZOLES AND COMPOSITIONS COMPRISING THEM FOR THE TREATMENT OF PARASITIC DISEASES, SUCH AS E.G. MALARIA IRM LLC (BM) 2012-05-16 — — EP disclosed
WO-2011006143-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2011-01-13 — — WO disclosed