SCHEMBL23097041

SCHEMBL23097041

Cc1nc2nc(C(C)C)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CA P42336 1/20 0.32

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
SCHEMBL14027773 0.81 CHRNB2 (0.33)
SCHEMBL22800208 0.79
SCHEMBL21439942 0.79 MAPT (0.37) PIK3CA
SCHEMBL21604588 0.77 OGA (0.37) PIK3CA
SCHEMBL18824669 0.76 PIK3CA (0.38) GAAL3MBTL1PIK3CA
SCHEMBL7919451 0.75 CHRM4 (0.44) GAAL3MBTL1PIK3CA
SCHEMBL19054141 0.72 NOS2 (0.40) GAAL3MBTL1PIK3CA
SCHEMBL14871075 0.71 HTR3A (0.46) GAAL3MBTL1PIK3CA
SCHEMBL12915444 0.69 NOS3 (0.33)
SCHEMBL22725554 0.69

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
EP-3371174-B1 INDOLIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-03-17 EP disclosed