SCHEMBL22481985

SCHEMBL22481985

CNC(=O)c1cn(CCNC(C)=O)nn1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.48

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
SCHEMBL24334700 0.85 GLS (0.48) GLS
SCHEMBL23011807 0.81 GLS (0.49) GLS
SCHEMBL17601989 0.78 MAPK1 (0.44)
SCHEMBL19450894 0.78 GLS (0.45) GLS
SCHEMBL17625567 0.76 MAPK1 (0.39)
SCHEMBL15223683 0.74 GLS (0.47) GLS
SCHEMBL15223713 0.74 GLS (0.46) GLS
SCHEMBL15223681 0.74 GLS (0.46) GLS
SCHEMBL21907950 0.74 GLS (0.45) GLS
SCHEMBL15223703 0.73 GLS (0.43) GLS

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-2020198583-A1 BICYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2020-10-01 WO disclosed