SCHEMBL29705608

SCHEMBL29705608

CCc1n[nH]c2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 18/20 0.50
ITK Q08881 2/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL15435736 1.00 GRM4 (0.50) GRM4ITKCYP1A2
SCHEMBL14895764 0.82 TDP1 (0.42) GRM4ITKCYP1A2
SCHEMBL29603514 0.82 GRM4 (0.42) GRM4ITKCYP1A2
SCHEMBL4061359 0.81 GRM4 (0.48) GRM4ITK
SCHEMBL27143770 0.81 GRM4 (0.51) GRM4ITKCYP1A2
Hydrochloric Acid SCHEMBL31277116 0.80 GRM4 (0.45) GRM4ITK
SCHEMBL30036160 0.80 GRM4 (0.45) GRM4ITK
SCHEMBL29604083 0.79 GRM4 (0.40) GRM4ITKCYP1A2
SCHEMBL27332981 0.77 GRM4 (0.43) GRM4ITK
SCHEMBL30036112 0.76 TSHR (0.54) GRM4ITK

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-2022159745-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. (US) 2022-07-28 WO disclosed