SCHEMBL28895623

SCHEMBL28895623

Cn1c(C(=O)O)nc2c1CCN(C(=O)O)C2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 8/20 0.36
CD274 Q9NZQ7 8/20 0.36
CNR2 P34972 4/20 0.34
P2RX7 Q99572 3/20 0.33
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
DPP9 Q86TI2 1/20 0.33
PDK2 Q15119 1/20 0.33
MTHFD2 P13995 2/20 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
SCHEMBL28579456 0.89 GRM5 (0.40) PDCD1CD274CNR2
SCHEMBL29225581 0.85 HDAC1 (0.31)
SCHEMBL23360915 0.84 PDCD1 (0.47) PDCD1CD274
Lithium SCHEMBL29716028 0.83 PDCD1 (0.46) PDCD1CD274
SCHEMBL28758427 0.83 CNR2 (0.35) PDCD1CD274CNR2P2RX7DPP4
SCHEMBL29191201 0.82 ADORA1 (0.46) CNR2
SCHEMBL23244377 0.79 CNR2 (0.49) CNR2P2RX7DPP4DPP8DPP7
SCHEMBL28595450 0.78 PDCD1 (0.53) PDCD1CD274
SCHEMBL28477398 0.77 CNR2 (0.32) CNR2P2RX7DPP4DPP8DPP7
SCHEMBL30916147 0.76 CREBBP (0.39) PDCD1CD274CNR2DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112752756-B Tetrahydro-imidazo [4,5-c ] pyridine derivatives as PD-L1 immunomodulators 因赛特公司 2024-06-25 CN disclosed
CN-110582493-B Benzoxazole derivatives as immunomodulators 因赛特公司 2024-03-08 CN disclosed
CN-116115764-A Tetrahydroimidazo [4,5-C ] pyridine derivatives as PD-L1 internalization inducers 因赛特公司 2023-05-16 CN disclosed
CN-110267953-B Tetrahydroimidazo [4,5-C ] pyridine derivatives as inducers of PD-L1 internalization 因赛特公司 2022-12-20 CN disclosed
CN-109890819-B Heterocyclic compounds as immunomodulators 因赛特公司 2022-11-22 CN disclosed