SCHEMBL22701577

SCHEMBL22701577

O=NC(CCC1CCCCC1)c1cc(Cl)cc2cncn12

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 18/20 0.55
TDO2 P48775 15/20 0.55
MAPK14 Q16539 2/20 0.32

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
SCHEMBL18137443 0.83 IDO1 (0.68) IDO1TDO2
SCHEMBL22701465 0.76 IDO1 (0.65) IDO1TDO2
SCHEMBL19951158 0.75 IDO1 (0.71) IDO1TDO2
SCHEMBL18137487 0.75 IDO1 (0.71) IDO1TDO2
SCHEMBL19951072 0.75 IDO1 (0.71) IDO1TDO2
SCHEMBL18137360 0.73 IDO1 (0.51) IDO1TDO2
SCHEMBL18137365 0.72 IDO1 (0.49) IDO1TDO2
SCHEMBL18132284 0.71 IDO1 (0.72) IDO1TDO2
SCHEMBL18132278 0.71 IDO1 (1.00) IDO1TDO2
SCHEMBL18132210 0.71 IDO1 (1.00) IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280715-B1 NOVEL 5 OR 8-SUBSTITUTED IMIDAZO [1, 5-a]PYRIDINES AS INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE LTD (KY) 2020-11-25 EP disclosed