SCHEMBL21135848

SCHEMBL21135848

C/C=N/Nc1cn2cc(C(=O)NC)nc2c(N2CCOCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.51
PIK3R1 P27986 8/20 0.51
PIK3CD O00329 4/20 0.51
MTOR P42345 4/20 0.44
PIK3CB P42338 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL21135850 0.89 PIK3CA (0.54) PIK3CAPIK3R1PIK3CDMTORKDM4E
SCHEMBL21135849 0.88 PIK3CA (0.42) PIK3CAPIK3R1PIK3CDMTORSMN1; SMN2
SCHEMBL21135851 0.87 PIK3CA (0.42) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL21135852 0.84 PIK3CA (0.39) PIK3CAPIK3R1PIK3CDMTOR
SCHEMBL23272149 0.83 KDM4E (0.53) PIK3CAPIK3R1PIK3CDALDH1A1KDM4E
SCHEMBL30312327 0.83 KDM4E (0.53) PIK3CAPIK3R1PIK3CDALDH1A1KDM4E
SCHEMBL30366721 0.79 PIK3CA (0.56) PIK3CAPIK3R1PIK3CDMTORPIK3CB
SCHEMBL21135207 0.76 ATR (0.41) PIK3CAPIK3R1PIK3CDPIK3CBALDH1A1
SCHEMBL21054567 0.75 KDM4E (0.54) PIK3CAPIK3R1PIK3CDALDH1A1KDM4E
SCHEMBL30312448 0.75 KDM4E (0.54) PIK3CAPIK3R1PIK3CDALDH1A1KDM4E

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