SCHEMBL30459590

SCHEMBL30459590

O=C(Nc1cncnc1)c1cc(-c2cccc(F)c2)ncn1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 8/20 0.62
▸ GRM5 P41594 1/20 0.48
▸ ATR Q13535 2/20 0.47
▸ KCNQ3 O43525 2/20 0.47
▸ KCNQ2 O43526 2/20 0.47
▸ KCNQ5 Q9NR82 1/20 0.47
▸ MET P08581 2/20 0.44
▸ MAPK7 Q13164 1/20 0.43
▸ KCNE1 P15382 1/20 0.43
▸ KCNQ1 P51787 1/20 0.43
▸ BCAT2 O15382 1/20 0.43
▸ HPGDS O60760 1/20 0.42

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
SCHEMBL14742507 1.00 KMO (0.62) KMOGRM5ATRKCNQ3KCNQ2
SCHEMBL30428606 0.90 KMO (0.58) KMOATR
SCHEMBL1938798 0.90 KMO (0.58) KMOATR
SCHEMBL1939325 0.86 KMO (0.64) KMOGRM5ATRKCNQ3KCNQ2
SCHEMBL30429437 0.86 KMO (0.64) KMOGRM5ATRKCNQ3KCNQ2
SCHEMBL1939248 0.85 KMO (0.65) KMOKCNQ3KCNQ2KCNQ5KCNE1
SCHEMBL30428890 0.85 KMO (0.65) KMOKCNQ3KCNQ2KCNQ5KCNE1
SCHEMBL1938448 0.84 KMO (0.61) KMOGRM5KCNQ3KCNQ2KCNQ5
SCHEMBL30429304 0.84 KMO (0.61) KMOGRM5KCNQ3KCNQ2KCNQ5
SCHEMBL30429046 0.82 KMO (0.65) KMOGRM5KCNQ3KCNQ2MAPK7

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
CN-116323583-A Heterobiaryl compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2023-06-23 — — CN disclosed
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