SCHEMBL30145362

SCHEMBL30145362

Cc1c(Br)cccc1NC(=O)c1nc2c(n1C)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 17/20 0.53
CD274 Q9NZQ7 17/20 0.53
MAPK8 P45983 1/20 0.40
GRAMD1A Q96CP6 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39

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
SCHEMBL20293195 1.00 PDCD1 (0.53) PDCD1CD274MAPK8GRAMD1APARP1
SCHEMBL22675301 0.95 PDCD1 (0.59) PDCD1CD274PARP1TNKS2PARP2
SCHEMBL29812811 0.90 PDCD1 (0.54) PDCD1CD274MAPK8
SCHEMBL30010862 0.90 PDCD1 (0.46) PDCD1CD274MAPK8GRAMD1APARP1
SCHEMBL20293591 0.90 PDCD1 (0.54) PDCD1CD274MAPK8
SCHEMBL30340883 0.90 PDCD1 (0.42) PDCD1CD274MAPK8GRAMD1APARP1
SCHEMBL30145157 0.88 PDCD1 (0.55) PDCD1CD274MAPK8GRAMD1A
SCHEMBL20294221 0.88 PDCD1 (0.55) PDCD1CD274MAPK8GRAMD1A
SCHEMBL28339592 0.87 PDCD1 (0.58) PDCD1CD274
SCHEMBL23327302 0.85 PDCD1 (0.66) PDCD1CD274

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-118908978-A Tetrahydro-imidazo [4,5-c ] pyridine derivatives as PD-L1 immunomodulators 因赛特公司 2024-11-08 CN disclosed
CN-113072551-B Nitrogen-containing biphenyl derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-13 CN disclosed
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-110267953-B Tetrahydroimidazo [4,5-C ] pyridine derivatives as inducers of PD-L1 internalization 因赛特公司 2022-12-20 CN disclosed