SCHEMBL21135209

SCHEMBL21135209

CNNc1nc(N2CCOCC2)c2[nH]c(C(=O)Nc3cccnc3)nc2n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.52
PIK3CD O00329 6/20 0.50
AKT1 P31749 1/20 0.46
MTOR P42345 9/20 0.44
PIK3CA P42336 4/20 0.44
PIK3CG P48736 3/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
STAT3 P40763 1/20 0.42

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 0.90 STAT3 (0.50) CHEK1PIK3CDMTORPIK3CASTAT3
SCHEMBL21135294 0.89 MAPT (0.44) PIK3CDMTORPIK3CAPIK3CGSTAT3
SCHEMBL21135270 0.83 PTPN11 (0.47) CHEK1PIK3CDAKT1MTORPIK3CA
SCHEMBL30312366 0.81 PIKFYVE (0.58) CHEK1PIK3CDAKT1MTORPIK3CA
SCHEMBL21054341 0.81 PIKFYVE (0.58) CHEK1PIK3CDAKT1MTORPIK3CA
SCHEMBL21135489 0.75 PIK3CD (0.64) PIK3CDPIK3CGSTAT3
SCHEMBL21135197 0.75 PIK3CD (0.52) PIK3CDPIK3CG
SCHEMBL21135863 0.73 PIK3CD (0.51) PIK3CDPIK3CG
SCHEMBL21135404 0.73 PIK3R1 (0.51) MTORPIK3CASTAT3
SCHEMBL21135293 0.72 MAPT (0.46) PIK3CDMTORPIK3CAPIK3CGSTAT3

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