SCHEMBL30375334

SCHEMBL30375334

C[C@H](NC(=O)c1ccn2nc(-c3cccc(C#N)c3)cc2n1)C(C)(C)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.47
PHGDH O43175 1/20 0.41
GRM5 P41594 1/20 0.39
TEK Q02763 1/20 0.38

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
SCHEMBL30558723 0.81 ADORA2A (0.42) CTSAGRM5
SCHEMBL30375308 0.81 F11 (0.46) CTSAGRM5
SCHEMBL23998289 0.78 CTSA (0.38) CTSAGRM5
SCHEMBL23998292 0.78 CTSA (0.38) CTSAGRM5
SCHEMBL23998509 0.78 CTSA (0.38) CTSAGRM5
SCHEMBL23998159 0.76 ADORA2A (0.49) CTSAGRM5
SCHEMBL30250530 0.76 ADORA2A (0.49) CTSAGRM5
SCHEMBL23998097 0.75 ADORA2A (0.41) CTSAGRM5
SCHEMBL30250968 0.75 ADORA2A (0.41) CTSAGRM5
SCHEMBL30250992 0.75 ADORA2A (0.41) CTSAGRM5

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-115996929-A Antagonists of adenosine A2a receptors 阿道尔克斯治疗有限公司 2023-04-21 CN disclosed