SCHEMBL20314450

SCHEMBL20314450

Cn1c(C(O)Nc2cccc(Br)c2Cl)nc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ PDCD1 Q15116 7/20 0.36
▸ CD274 Q9NZQ7 7/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ GRAMD1A Q96CP6 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MKNK1 Q9BUB5 4/20 0.36
▸ MAPT P10636 2/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ HPGDS O60760 1/20 0.34

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
SCHEMBL29812811 0.83 PDCD1 (0.54) MAPK8PDCD1CD274
SCHEMBL20293591 0.83 PDCD1 (0.54) MAPK8PDCD1CD274
SCHEMBL30661741 0.80 PDCD1 (0.48) MAPK8PDCD1CD274
SCHEMBL30661742 0.80 PDCD1 (0.48) MAPK8PDCD1CD274
SCHEMBL30522688 0.78 PARP1 (0.39) PARP1TNKS2PARP2ESR2GRAMD1A
SCHEMBL24722368 0.77 PARP1 (0.43) PARP1TNKS2PARP2MAPK8ESR2
SCHEMBL30145362 0.76 PDCD1 (0.53) PARP1TNKS2PARP2MAPK8PDCD1
SCHEMBL20293195 0.76 PDCD1 (0.53) PARP1TNKS2PARP2MAPK8PDCD1
SCHEMBL20295572 0.75 PDCD1 (0.48) MAPK8PDCD1CD274BACE1
SCHEMBL30740265 0.75 PDCD1 (0.48) MAPK8PDCD1CD274BACE1

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-4223369-A1 IMMUNOMODULATOR COMPOUNDS AND METHODS OF USE Incyte Corporation (US) 2023-08-09 — — EP disclosed
WO-2018119224-A1 TETRAHYDRO IMIDAZO[4,5-C]PYRIDINE DERIVATIVES AS PD-L1 INTERNALIZATION INDUCERS INCYTE CORPORATION (US) 2018-06-28 — — WO disclosed
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