SCHEMBL25165158

SCHEMBL25165158

CCc1cn(-c2cc(C)cc(F)c2)nn1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 14/20 0.56
▸ GRIN1 Q05586 14/20 0.56
▸ GRIN2B Q13224 14/20 0.56
▸ KCNH2 Q12809 4/20 0.49
▸ NOTUM Q6P988 2/20 0.46

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
SCHEMBL12224095 0.77 RXRA (0.54) RXRAGRIN1GRIN2BNOTUM
SCHEMBL20756518 0.77 RXRA (0.46) RXRAGRIN1GRIN2BKCNH2NOTUM
SCHEMBL25163608 0.75 RXRA (0.43) RXRAGRIN1GRIN2BKCNH2NOTUM
SCHEMBL20468184 0.75 NOTUM (0.72) RXRAGRIN1GRIN2BKCNH2NOTUM
SCHEMBL19211395 0.73 NOTUM (0.70) RXRAGRIN1GRIN2BNOTUM
SCHEMBL19219465 0.72 RXRA (1.00) RXRAGRIN1GRIN2B
SCHEMBL13180348 0.71 RXRA (0.64) RXRAGRIN1GRIN2BKCNH2NOTUM
SCHEMBL23381114 0.70 RXRA (0.41) RXRAGRIN1GRIN2BKCNH2NOTUM
SCHEMBL13255707 0.70 NOTUM (0.54) RXRAGRIN1GRIN2BKCNH2NOTUM
SCHEMBL3777938 0.69 NOTUM (0.68) NOTUM

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-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 — — WO disclosed
Send feedback