SCHEMBL30557923

SCHEMBL30557923

O=C(Cn1cnnc1)Nc1ccc(-c2nc3ccccn3c2CN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.71
▸ GAA P10253 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.49
▸ SLC2A1 P11166 1/20 0.49
▸ KCNK3 O14649 13/20 0.47
▸ KCNK9 Q9NPC2 13/20 0.47

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
SCHEMBL30557943 0.92 CYP3A4 (0.81) CYP3A4GAAKDM4ESLC2A1KCNK3
SCHEMBL30557946 0.90 CYP3A4 (0.76) CYP3A4GAAKDM4ESLC2A1KCNK3
SCHEMBL30557940 0.88 CYP3A4 (0.76) CYP3A4GAAKCNK3KCNK9
SCHEMBL30557935 0.86 CYP3A4 (0.67) CYP3A4GAAKDM4ESLC2A1KCNK3
SCHEMBL30557932 0.85 CYP3A4 (0.65) CYP3A4GAAKDM4ESLC2A1KCNK3
SCHEMBL30557939 0.85 CYP3A4 (0.67) CYP3A4GAAKDM4ESLC2A1KCNK3
SCHEMBL30557924 0.84 CYP3A4 (0.66) CYP3A4GAAKDM4ESLC2A1KCNK3
SCHEMBL30557925 0.78 CYP3A4 (0.60) CYP3A4GAAKDM4EKCNK3KCNK9
SCHEMBL30557930 0.78 CYP3A4 (0.60) CYP3A4GAAKDM4EKCNK3KCNK9
SCHEMBL30557927 0.76 SLC2A1 (0.67) CYP3A4GAAKDM4ESLC2A1KCNK3

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-115160313-B 2-phenylimidazole [1,2-a ] pyridine compound, composition containing same and application of 2-phenylimidazole [1,2-a ] pyridine compound and composition 中国药科大学 2023-09-05 — — CN disclosed
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