SCHEMBL22000381

SCHEMBL22000381

NSNCCNc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.57
TDO2 P48775 2/20 0.36
IDO2 Q6ZQW0 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HDAC1 Q13547 4/20 0.35

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
SCHEMBL20090597 0.92 IDO1 (0.54) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL10174137 0.90 IDO1 (0.58) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL30589086 0.90 IDO1 (0.60) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL148261 0.90 IDO1 (0.60) IDO1TDO2IDO2CYP3A4CYP2C9
Iodide SCHEMBL146073 0.90 IDO1 (0.57) IDO1TDO2IDO2CYP3A4CYP2C9
Iodide SCHEMBL145709 0.89 IDO1 (0.59) IDO1TDO2IDO2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL148937 0.89 IDO1 (0.59) IDO1TDO2IDO2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL29609373 0.89 IDO1 (0.59) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL22000775 0.89 IDO1 (0.52) IDO1TDO2IDO2CYP3A4CYP2C9
SCHEMBL16709496 0.89 IDO1 (0.56) IDO1TDO2IDO2CYP3A4CYP2C9

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-3744715-A1 PROCESS FOR THE SYNTHESIS OF AN INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR Incyte Holdings Corporation (US) 2020-12-02 EP disclosed
EP-3066085-B1 PROCESS FOR THE SYNTHESIS OF AN INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR INCYTE HOLDINGS CORP (US) 2020-05-13 EP disclosed