SCHEMBL30825580

SCHEMBL30825580

N#Cc1cccc(-c2nnc[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
NOTUM Q6P988 1/20 0.50
CLK4 Q9HAZ1 1/20 0.49
GABRG2 P18507 7/20 0.48
GABRB3 P28472 7/20 0.48
GABRA5 P31644 7/20 0.48
GABRA3 P34903 7/20 0.48
GABRA1 P14867 1/20 0.48
MAOB P27338 2/20 0.46
PIN1 Q13526 1/20 0.45
XDH P47989 1/20 0.44
GRM5 P41594 1/20 0.42
TYMP P19971 1/20 0.41
GRK6 P43250 1/20 0.41

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
SCHEMBL2651687 0.75 IDO1 (0.49) IDO1NOTUMCLK4GABRG2GABRB3
SCHEMBL30311721 0.74 ALDH1A1 (0.49) IDO1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22053004 0.74 ALDH1A1 (0.49) IDO1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3754960 0.74 ENPP2 (0.50)
SCHEMBL4333689 0.74 IDO1 (0.46) IDO1PIN1XDH
SCHEMBL4345238 0.74 IDO1 (0.50) IDO1NOTUMCLK4GABRG2GABRB3
SCHEMBL12127268 0.74 IDO1 (0.50) IDO1NOTUMPIN1
SCHEMBL5784940 0.73 CLK4 (0.49) IDO1NOTUMCLK4GABRG2GABRB3
SCHEMBL2052675 0.73 CLK4 (0.57) IDO1CLK4MAOBPIN1XDH
SCHEMBL2154026 0.73 CLK4 (0.65) IDO1NOTUMCLK4GABRG2GABRB3

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
CN-117858707-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 CN disclosed