SCHEMBL30781995

SCHEMBL30781995

CONc1cc(N)ncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.50
▸ CDK5 Q00535 2/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CCNE1 P24864 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ KDR P35968 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CA2 P00918 1/20 0.36
▸ CHKA P35790 1/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ ASIC3 Q9UHC3 1/20 0.34
▸ EGFR P00533 4/20 0.34

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
SCHEMBL29741837 0.76 — —
SCHEMBL1911881 0.76 — —
SCHEMBL10187337 0.74 MEN1 (0.81) SCN9ACDK5CDK1CCNB1CCNA2
SCHEMBL1097149 0.73 MEN1 (0.78) SCN9ACDK5CDK1CCNB1CCNA2
SCHEMBL30138398 0.72 CYP1A2 (0.54) SCN9ACLK4CYP2C19
SCHEMBL20929509 0.72 CYP1A2 (0.54) SCN9ACLK4CYP2C19
SCHEMBL18469869 0.71 — —
SCHEMBL374428 0.71 MEN1 (0.51) SCN9ACDK5CDK1CCNB1CCNA2
SCHEMBL19679369 0.71 CDK5 (0.41) SCN9ACDK5CDK1CCNB1CCNA2
SCHEMBL20910941 0.71 CDK5 (0.41) SCN9ACDK5CDK1CCNB1CCNA2

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-117396473-A Imidazopyridinyl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 — — CN disclosed
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