SCHEMBL22011646

SCHEMBL22011646

CC1CCCN1c1cc2c(c(CN(C)C(=O)OC(C)(C)C)n1)CNC2=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 14/20 0.35
HTR2C P28335 5/20 0.34
SLC6A4 P31645 5/20 0.34
HTR2A P28223 1/20 0.34
RPS6KA2 Q15349 1/20 0.33
PRKD2 Q9BZL6 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
SCHEMBL21990627 1.00 MAP4K1 (0.35) MAP4K1HTR2CSLC6A4HTR2ARPS6KA2
SCHEMBL30913157 1.00 MAP4K1 (0.35) MAP4K1HTR2CSLC6A4HTR2ARPS6KA2
SCHEMBL30913160 0.88 PIK3C3 (0.41)
SCHEMBL30227816 0.85 MAP4K1 (0.35) MAP4K1
SCHEMBL30913142 0.84 CACNA1G (0.34) HTR2CSLC6A4HTR2A
SCHEMBL28975036 0.83 MAP4K1 (0.38) MAP4K1RPS6KA2PRKD2
SCHEMBL29261261 0.83 MAP4K1 (0.38) MAP4K1RPS6KA2PRKD2
SCHEMBL30913139 0.82 AURKA (0.37) HTR2CSLC6A4
SCHEMBL30913137 0.81 MAP4K1 (0.34) MAP4K1HTR2CSLC6A4
SCHEMBL25100255 0.80 MAP4K1 (0.42) MAP4K1

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
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-2021220185-A1 AZALACTAM COMPOUNDS AS HPK1 INHIBITORS PFIZER INC. (US) 2021-11-04 WO 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