SCHEMBL29978764

SCHEMBL29978764

N#Cc1cc(NC(=NO)c2nonc2NCCNS(N)(=O)=O)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
TDO2 P48775 1/20 0.57
IDO2 Q6ZQW0 1/20 0.57

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
SCHEMBL148373 1.00 IDO1 (0.57) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL148374 1.00 IDO1 (0.57) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL145582 0.91 IDO1 (0.57) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL19465779 0.91 IDO1 (0.57) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL145581 0.91 IDO1 (0.57) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL20199236 0.89 IDO1 (0.51) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL10180880 0.88 IDO1 (0.51) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL17324867 0.87 IDO1 (0.58) IDO1CYP3A4CYP2C9TDO2IDO2
Epacadostat SCHEMBL29608961 0.86 IDO1 (0.70) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL146437 0.86 IDO1 (0.69) IDO1CYP3A4CYP2C9TDO2IDO2

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
EP-4190335-A1 IMMUNOTHERAPY METHODS AND COMPOSITIONS INVOLVING TRYPTOPHAN METABOLIC PATHWAY MODULATORS Juno Therapeutics, Inc. (US) 2023-06-07 EP claimed
EP-3525803-B1 IMMUNOTHERAPY METHODS AND COMPOSITIONS INVOLVING TRYPTOPHAN METABOLIC PATHWAY MODULATORS JUNO THERAPEUTICS INC (US) 2022-12-07 EP claimed
EP-4190335-A1 IMMUNOTHERAPY METHODS AND COMPOSITIONS INVOLVING TRYPTOPHAN METABOLIC PATHWAY MODULATORS Juno Therapeutics, Inc. (US) 2023-06-07 EP disclosed
EP-3525803-B1 IMMUNOTHERAPY METHODS AND COMPOSITIONS INVOLVING TRYPTOPHAN METABOLIC PATHWAY MODULATORS JUNO THERAPEUTICS INC (US) 2022-12-07 EP disclosed
US-20220323558-A1 CANCER VACCINES PFIZER INC. (US) 2022-10-13 US disclosed