SCHEMBL29636007

SCHEMBL29636007

CCC(=O)Cn1c(=O)n(Cc2ccc(OC)cc2)c2ncc(Br)cc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 11/20 0.55
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
GRIN1 Q05586 3/20 0.42
GRIN2B Q13224 3/20 0.42
PDE1A P54750 1/20 0.41
PDE1C Q14123 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KDM4A O75164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL28736421 1.00 PDE1B (0.55) PDE1BMAPTTHRBGRIN1GRIN2B
SCHEMBL27193449 0.88 PDE1B (0.66) PDE1BMAPTTHRBPDE1APDE1C
SCHEMBL31533729 0.88 PDE1B (0.66) PDE1BMAPTTHRBPDE1APDE1C
SCHEMBL31008752 0.82 GRIN2B (0.68) GRIN1GRIN2B
SCHEMBL31008684 0.80 GRIN1 (0.70) GRIN1GRIN2B
SCHEMBL28736487 0.80 GRIN1 (0.70) GRIN1GRIN2B
SCHEMBL26132569 0.78 PDE1B (0.72) PDE1BMAPTTHRB
SCHEMBL30287089 0.78 PDE1B (0.72) PDE1BMAPTTHRB
SCHEMBL25241170 0.74 PDE1B (0.57) PDE1BPDE1APDE1CALDH1A1HPGD
SCHEMBL18555697 0.72 PTGS2 (0.52) PDE1BMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989164-B Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof 詹森药业有限公司 2024-08-13 CN disclosed
CN-114989164-A Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof 詹森药业有限公司 2022-09-02 CN disclosed
CN-110062761-B Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof 詹森药业有限公司 2022-05-13 CN disclosed