SCHEMBL28529693

SCHEMBL28529693

Cc1cn2nc(C(=O)O)cc2c(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
KDM4E B2RXH2 2/20 0.38
GPR35 Q9HC97 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
POLB P06746 1/20 0.36
PPP1CA P62136 1/20 0.35

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
SCHEMBL16376282 0.88 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MAPK1POLBMEN1
SCHEMBL22445908 0.84 APOBEC3A (0.41) SMN1; SMN2ALDH1A1APOBEC3AAPOBEC3GKDM4E
SCHEMBL28524393 0.83 APOBEC3A (0.41) SMN1; SMN2ALDH1A1APOBEC3AAPOBEC3GKDM4E
SCHEMBL15175180 0.81 NOTUM (0.43) SMN1; SMN2ALDH1A1KDM4EPOLBRXFP1
SCHEMBL28527557 0.79 KCNH2 (0.41) ALDH1A1APOBEC3AAPOBEC3GKDM4EPOLB
SCHEMBL24662921 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPK1KDM4EPOLB
SCHEMBL26664258 0.74 RXFP1 (0.45) SMN1; SMN2ALDH1A1MAPK1APOBEC3AAPOBEC3G
SCHEMBL30727779 0.73 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1MAPK1KMT2A
SCHEMBL25359012 0.73 PDE4B (0.32) SMN1; SMN2ALDH1A1MAPK1KDM4EPOLB
SCHEMBL16376293 0.73 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1KDM4EKMT2A

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-112469707-B Preventive or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2024-06-21 CN disclosed
CN-108473510-B Process for preparing 2-pyrazolo [1,5-a ] pyrazin-2-ylpyrido [1,2-a ] pyrimidin-4-one 豪夫迈·罗氏有限公司 2021-10-29 CN disclosed
CN-112469707-A Prophylactic or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2021-03-09 CN disclosed