SCHEMBL31424745

SCHEMBL31424745

Cc1nc2c(Oc3ccc(C#N)cc3)cc(CBr)cc2[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
CACNA1G O43497 1/20 0.37
CACNA1B Q00975 1/20 0.37
AR P10275 1/20 0.37
ESRRA P11474 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDH1 O75874 1/20 0.35
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
KDM4C Q9H3R0 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
SLC6A4 P31645 1/20 0.33
DHODH Q02127 1/20 0.33
CHEK2 O96017 1/20 0.33

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
SCHEMBL31424599 0.89 CYP11B1 (0.42) GRIN1GRIN2BCACNA1GCACNA1BAR
SCHEMBL31424709 0.86 GRIN1 (0.36) GRIN1GRIN2BARESRRAIDH1
SCHEMBL31424637 0.86 BRD4 (0.44) LMNAPARP1
SCHEMBL31424682 0.85 GRIN1 (0.37) GRIN1GRIN2BDHODH
SCHEMBL31424693 0.85 GRIN1 (0.37) GRIN1GRIN2BDHODH
SCHEMBL31424694 0.84 PDE10A (0.36) CACNA1GKDM4CDHODHPARP1
SCHEMBL31424670 0.79 SLC6A2 (0.36) SLC6A4
SCHEMBL31424629 0.76 BRD4 (0.40) LMNAHTTPARP1
SCHEMBL31424746 0.76 MAPT (0.38) KMT2ALMNAHTTPARP1
SCHEMBL31424697 0.75 MAPK1 (0.36) GRIN1GRIN2BLMNASMN1; SMN2PARP1

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-119431314-A Substituted nitrogen-containing bicyclic compounds and uses thereof 广东东阳光药业股份有限公司 2025-02-14 CN disclosed