SCHEMBL25835486

SCHEMBL25835486

COc1ccn2c(=O)n(C)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 4/20 0.46
ADORA3 P0DMS8 15/20 0.46
ADORA1 P30542 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL22226364 0.77 KDM4E (0.51) GPR139SMN1; SMN2
SCHEMBL29431437 0.75 GPR139 (0.44) GPR139
SCHEMBL22162904 0.75 SMN1; SMN2 (0.34) GPR139SMN1; SMN2
SCHEMBL22006727 0.75 CASP3 (0.33) GPR139
SCHEMBL22162915 0.75 AHR (0.37) GPR139SMN1; SMN2
SCHEMBL25512531 0.72 GPR139 (0.37) GPR139SMN1; SMN2
SCHEMBL25835485 0.71 CYP1A2 (0.48) GPR139ADORA3ADORA1
SCHEMBL23414771 0.70 KDM4E (0.66) ADORA3ADORA1SMN1; SMN2
SCHEMBL23414745 0.70 METTL3 (0.46) ADORA3ADORA1SMN1; SMN2
SCHEMBL23414957 0.69 METTL3 (0.47) ADORA3ADORA1

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-2023137356-A1 15-PGDH INHIBITORS VENTYX BIOSCIENCES, INC. (US) 2023-07-20 WO disclosed