SCHEMBL22012606

SCHEMBL22012606

CN(Cc1nccc2c1CN(C(=O)OC(C)(C)C)C2=O)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.36
HTR2C P28335 8/20 0.36
SLC6A4 P31645 8/20 0.36
HTR2A P28223 1/20 0.35
UGCG Q16739 1/20 0.33
BUB1 O43683 3/20 0.32
CDK9 P50750 2/20 0.32
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
GPR119 Q8TDV5 1/20 0.31
CCNT1 O60563 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNA1C Q13936 1/20 0.31

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
SCHEMBL22012607 0.80 CACNA1G (0.39) HTR2CSLC6A4HTR2APIK3CAMTOR
SCHEMBL22012095 0.78 SSTR4 (0.39) SSTR4HTR2CSLC6A4HTR2ABUB1
SCHEMBL22012611 0.78 CACNA1G (0.39) HTR2CSLC6A4HTR2AGPR119CACNA1G
SCHEMBL18789182 0.77 POLB (0.44) BUB1CDK9PIK3CAMTORGPR119
SCHEMBL21990463 0.74 NR1H2 (0.38) PIK3CAMTOR
SCHEMBL18789177 0.70 PIK3CA (0.46) SLC6A4UGCGPIK3CAMTOR
SCHEMBL5775309 0.70 SSTR4 (0.38) SSTR4HTR2CSLC6A4HTR2ABUB1
SCHEMBL29814890 0.69 CAMKK1 (0.36) SLC6A4UGCG
SCHEMBL30701033 0.68 BUB1 (0.43) BUB1PIK3CAMTORGPR119
SCHEMBL5775139 0.68 HTR2C (0.44) HTR2CSLC6A4

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
EP-3880676-B1 2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDIN-1-ONE DERIVATIVES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PFIZER (US) 2023-08-02 EP disclosed
WO-2020100027-A1 2,3-DIHYDRO-1H-PYRROLO[3,4-C]PYRIDIN-1-ONE DERIVATIVES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PFIZER INC. (US) 2020-05-22 WO disclosed