SCHEMBL21135294

SCHEMBL21135294

CNNc1nc(N2CCOCC2)c2[nH]c(C(=O)Nc3ccncc3)nc2n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
PIK3CD O00329 11/20 0.43
STAT3 P40763 2/20 0.43
GRIA1 P42261 1/20 0.42
MTOR P42345 5/20 0.41
PIK3CA P42336 3/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL21135295 0.91 STAT3 (0.50) PIK3CDSTAT3MTORPIK3CA
SCHEMBL21135209 0.89 CHEK1 (0.52) PIK3CDSTAT3MTORPIK3CAPIK3CG
SCHEMBL21135293 0.82 MAPT (0.46) MAPTPIK3CDSTAT3GRIA1MTOR
SCHEMBL30312519 0.79 PIKFYVE (0.68) MAPTPIK3CDMTORPIK3CA
SCHEMBL21054816 0.79 PIKFYVE (0.68) MAPTPIK3CDMTORPIK3CA
SCHEMBL21135489 0.78 PIK3CD (0.64) PIK3CDSTAT3PIK3CG
SCHEMBL21135197 0.77 PIK3CD (0.52) PIK3CDPIK3CG
SCHEMBL21135863 0.76 PIK3CD (0.51) PIK3CDPIK3CG
SCHEMBL21135404 0.74 PIK3R1 (0.51) MAPTSTAT3MTORPIK3CA
SCHEMBL21135270 0.72 PTPN11 (0.47) PIK3CDMTORPIK3CAPIK3CG

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-2019113523-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF BAJJI ASHOK (US) 2019-06-13 WO disclosed