SCHEMBL29217682

SCHEMBL29217682

CC(C)n1cnnc1-c1ccnc(N)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 1/20 0.43
MAP3K5 Q99683 12/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
DYRK1A Q13627 2/20 0.40
AAK1 Q2M2I8 2/20 0.38
MAP4K1 Q92918 1/20 0.38

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
SCHEMBL22474086 0.77 MAP3K5 (0.48) MAP3K5KDM4E
SCHEMBL17255742 0.77 ATM (0.40) MAP3K5NOS3NOS2
SCHEMBL28370098 0.76 MAP3K5 (0.46) MAP3K5L3MBTL1
SCHEMBL28365584 0.76 MAP3K5 (0.43) MAP3K5MAP4K1
SCHEMBL23662286 0.73 CBLB (0.40) CBLBKDM4EMEN1NOS3NOS1
SCHEMBL29977659 0.73 MAP3K5 (0.49) MAP3K5KDM4EMAP4K1
SCHEMBL29978025 0.73 NOS3 (0.41) MAP3K5NOS3NOS2MAP4K1
SCHEMBL28887953 0.73 MAP3K5 (0.49) MAP3K5KDM4EMAP4K1
SCHEMBL9910778 0.72 L3MBTL1 (0.53) MAP3K5L3MBTL1
SCHEMBL30988452 0.71 MAP3K5 (0.42) MAP3K5L3MBTL1

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
CN-119569701-A Preparation and application of compound with 1H-benzimidazole structure 江西中医药大学 2025-03-07 CN disclosed
CN-117756785-A Preparation and application of N- (pyridine-2-yl) benzo [ b ] five-membered heterocycle-3-carboxamide structure compound 江西中医药大学 2024-03-26 CN disclosed