SCHEMBL21135489

SCHEMBL21135489

CNNc1nc(N2CCOCC2)c2[nH]c(C(=O)NC3CCCCC3)nc2n1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.64
PIK3R1 P27986 2/20 0.45
PIK3CG P48736 2/20 0.45
STAT3 P40763 1/20 0.45
CNR2 P34972 2/20 0.44

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
SCHEMBL21135197 0.90 PIK3CD (0.52) PIK3CDPIK3R1PIK3CG
SCHEMBL21135863 0.88 PIK3CD (0.51) PIK3CDPIK3R1PIK3CG
SCHEMBL21135409 0.81 PIK3CD (0.47) PIK3CDSTAT3CNR2
SCHEMBL21135783 0.80 PIK3CD (0.46) PIK3CDPIK3R1STAT3CNR2
SCHEMBL21135295 0.79 STAT3 (0.50) PIK3CDPIK3R1STAT3
SCHEMBL21135407 0.78 PIK3CD (0.44) PIK3CDPIK3R1STAT3CNR2
SCHEMBL21135294 0.78 MAPT (0.44) PIK3CDPIK3CGSTAT3
SCHEMBL30312355 0.77 PIKFYVE (0.58) PIK3CDCNR2
SCHEMBL21054639 0.77 PIKFYVE (0.58) PIK3CDCNR2
SCHEMBL30312350 0.76 PIKFYVE (0.59) PIK3CD

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