SCHEMBL31365014

SCHEMBL31365014

CCc1cc(Br)cc2[nH]nnc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.32
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 0.31
GSK3B P49841 1/20 0.30

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
SCHEMBL25362857 0.80 HSPA5 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13604198 0.75 PRNP (0.36) DYRK1A
SCHEMBL8627079 0.72 NSD1 (0.37) DYRK1AGSK3B
SCHEMBL20699401 0.72 DYRK1A (0.34) DYRK1A
SCHEMBL30161793 0.72 DYRK1A (0.34) DYRK1A
SCHEMBL29466093 0.70 GABRA1 (0.39)
SCHEMBL284553 0.70 GABRA1 (0.39)
SCHEMBL9637484 0.69 GABRA1 (0.38)
SCHEMBL27708691 0.69 GABRA1 (0.38)
SCHEMBL30618047 0.69 NR4A2 (0.41)

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
WO-2025056065-A1 CHEMOKINE RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION, AND USE 上海医药集团股份有限公司 2025-03-20 WO disclosed
CN-119638669-A Chemokine receptor antagonist, pharmaceutical composition and application 上海医药集团股份有限公司 2025-03-18 CN disclosed