SCHEMBL30437428

SCHEMBL30437428

COc1cccc(F)c1-c1cnc2c(C(N)=O)cn(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 3/20 0.46
▸ GRIN2B Q13224 3/20 0.46
▸ FGFR4 P22455 1/20 0.43
▸ HTR5A P47898 1/20 0.41
▸ PARP1 P09874 2/20 0.41
▸ CSF1R P07333 4/20 0.40
▸ MAP4K1 Q92918 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ CTSA P10619 4/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL30640243 0.72 POLQ (0.42) HTR5ACSF1RLMNAHTT
SCHEMBL30436768 0.71 MKNK1 (0.52) JAK1JAK3
SCHEMBL30640103 0.71 HTR5A (0.42) HTR5ACSF1RMAP4K1JAK2JAK1
SCHEMBL30640089 0.71 POLQ (0.60) HTR5ACSF1RJAK2JAK1TYK2
SCHEMBL30640062 0.71 POLQ (0.60) HTR5ACSF1RJAK2JAK1TYK2
SCHEMBL30640087 0.71 POLQ (0.60) HTR5ACSF1RJAK2JAK1TYK2
SCHEMBL30436844 0.71 NR4A2 (0.49) PARP1
SCHEMBL30437026 0.69 MKNK1 (0.50) —
SCHEMBL30436871 0.69 JAK3 (0.51) FGFR4PARP1JAK1JAK3
SCHEMBL25307436 0.69 HTR5A (0.47) HTR5APARP1CSF1RLMNAHTT

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-116102549-B 5-Aldehyde heterocyclic amide compound and application thereof 暨南大学 2025-02-11 — — CN claimed
CN-116102549-A 5-aldehyde heterocyclic amide compound and application thereof 暨南大学 2023-05-12 — — CN claimed
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