SCHEMBL31111396

SCHEMBL31111396

c1cnc2c(c1)CNCCO2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 5/20 0.40
PNMT P11086 1/20 0.38
CD44 P16070 1/20 0.38
MAOB P27338 1/20 0.38
PDE1A P54750 5/20 0.37
PDE1B Q01064 5/20 0.37
PDE1C Q14123 5/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OXTR P30559 1/20 0.35
SSTR1 P30872 1/20 0.35
SSTR2 P30874 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
RYR2 Q92736 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
SCHEMBL10199987 1.00 SSTR4 (0.40) SSTR4PNMTCD44MAOBPDE1A
Hydrochloric Acid SCHEMBL2110952 0.98 SSTR4 (0.39) SSTR4PNMTCD44MAOBPDE1A
Hydrochloric Acid SCHEMBL15328877 0.98 SSTR4 (0.39) SSTR4PNMTCD44MAOBPDE1A
SCHEMBL30317484 0.90 PDE1A (0.41) SSTR4PNMTCD44MAOBPDE1A
Trifluoroacetic Acid SCHEMBL9949838 0.87 SSTR4 (0.43) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL10200477 0.84 HTR2C (0.45) PNMTCD44MAOB
Hydrochloric Acid SCHEMBL2112080 0.83 HTR2C (0.44) PNMTCD44MAOB
SCHEMBL618831 0.75
SCHEMBL2110694 0.74 APEX1 (0.32) CD44
SCHEMBL10200116 0.73 POLB (0.51) POLBSMN1; SMN2

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-119285572-A Kinase inhibitors and uses thereof 戴纳立制药公司 2025-01-10 CN disclosed
CN-119264073-A Kinase inhibitors and uses thereof 戴纳立制药公司 2025-01-07 CN disclosed
CN-110913858-B Kinase inhibitors and uses thereof 戴纳立制药公司 2024-09-24 CN disclosed