SCHEMBL8469809

SCHEMBL8469809

c1ccc(-n2ccnc2)c(-n2cccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.66
CYP3A4 P08684 5/20 0.59
CYP1A2 P05177 3/20 0.59
CYP2D6 P10635 3/20 0.59
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
MAPT P10636 2/20 0.59
MAPK1 P28482 2/20 0.59
ALDH1A1 P00352 1/20 0.59
PMP22 Q01453 1/20 0.59
GAA P10253 2/20 0.56
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CYP11B2 P19099 3/20 0.49
CYP19A1 P11511 2/20 0.49
CYP11B1 P15538 2/20 0.49

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
SCHEMBL31408101 0.93 IDO1 (0.73) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL16382293 0.93 IDO1 (0.73) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL28493083 0.85 IDO1 (0.63) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL28484926 0.85 IDO1 (0.63) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL28287055 0.83 IDO1 (0.66) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL870689 0.79 CYP3A4 (0.63) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL5536059 0.79 IDO1 (0.61) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL1927667 0.79 IDO1 (0.61) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL57158 0.79 IDO1 (1.00) IDO1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL872215 0.79 IDO1 (0.61) IDO1CYP3A4CYP1A2CYP2D6CYP2C9

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
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed