SCHEMBL17665348

SCHEMBL17665348

c1ccc2c(c1)C(Oc1ccc3ccncc3c1)c1cncn1-2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.45
TDO2 P48775 2/20 0.41
PRKCZ Q05513 2/20 0.39
ROCK1 Q13464 4/20 0.38
ROCK2 O75116 1/20 0.37
CHUK O15111 4/20 0.35
LCK P06239 1/20 0.35
IDO1 P14902 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.33
MAPT P10636 1/20 0.33
CYP17A1 P05093 1/20 0.32
CLK1 P49759 1/20 0.32
GPBAR1 Q8TDU6 1/20 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
SCHEMBL17665351 0.82 TDO2 (0.48) TDO2IDO1CYP17A1
SCHEMBL17651977 0.80 TDO2 (0.46) TDO2IDO1
SCHEMBL17651987 0.80 TDO2 (0.50) TDO2IDO1
SCHEMBL17665353 0.79 TDO2 (0.45) TDO2IDO1MAPT
SCHEMBL17665352 0.79 TDO2 (0.47) TDO2IDO1
SCHEMBL17652000 0.78 TDO2 (0.46) TDO2IDO1
SCHEMBL17651935 0.78 TDO2 (0.46) TDO2IDO1
SCHEMBL17651995 0.78 TDO2 (0.46) TDO2IDO1GPBAR1
SCHEMBL17651986 0.77 TDO2 (0.43) TDO2IDO1GPBAR1
SCHEMBL17665679 0.77 TDO2 (0.41) TDO2PRKCZROCK1ROCK2IDO1

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-2016051181-A1 4H-IMIDAZO[1,5-A]INDOLE DERIVATIVES AND THEIR USE AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) AND/OR TRYPTOPHAN 2,3-DIOXYGENASE (TD02) MODULATORS REDX PHARMA PLC (GB) 2016-04-07 WO disclosed