SCHEMBL28603733

SCHEMBL28603733

Nc1cc(-c2ccncc2)nc(N)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K3 P46734 1/20 0.42
GSK3B P49841 3/20 0.40
ACHE P22303 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
PIK3CB P42338 3/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CG P48736 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
PIK3CA P42336 1/20 0.39
KDR P35968 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
AURKA O14965 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL29838670 0.78 CYP19A1 (0.54) LMNAMAPTCYP1A2CYP3A4KDM4E
SCHEMBL28595582 0.78 CYP19A1 (0.54) LMNAMAPTCYP1A2CYP3A4KDM4E
SCHEMBL11228950 0.75 MAP2K3 (0.58) MAP2K3AAK1PIK3CBPIK3CDPIK3CG
SCHEMBL28607324 0.74 MAPT (0.48) MAP2K3GSK3BPIK3CBPIK3CDPIK3CG
SCHEMBL15750049 0.74 ADORA2A (0.64) MAP2K3GSK3BACHEPIK3CBPIK3CD
SCHEMBL23086940 0.73 MAP4K4 (0.54) ACHEAAK1KDM4EALDH1A1HSD17B10
SCHEMBL30873836 0.73 ADK (0.42) GSK3BPIK3CBPIK3CDPIK3CGCYP1A2
SCHEMBL22411323 0.73 ADK (0.42) GSK3BPIK3CBPIK3CDPIK3CGCYP1A2
SCHEMBL11374306 0.72 PRKCD (0.56) CYP1A2
SCHEMBL11373185 0.72 PRKCH (0.47) MAPTCYP1A2KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112368282-B Azabenzimidazole compounds and medicaments 日本新药株式会社 2023-10-13 CN disclosed
CN-114929697-A Azabenzimidazole compounds and medicaments 日本新药株式会社 2022-08-19 CN disclosed
CN-114901283-A Therapeutic and prophylactic agent for functional digestive tract disorder and xerostomia 日本新药株式会社 2022-08-12 CN disclosed
CN-112368282-A Azabenzimidazole compounds and pharmaceuticals 日本新药株式会社 2021-02-12 CN disclosed