SCHEMBL21135799

SCHEMBL21135799

C/C=N/Nc1nc(N2CCOCC2)c2cc(C(=O)N(C)C)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.42
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
PIK3CB P42338 7/20 0.41
PIK3CD O00329 6/20 0.41
PIK3CG P48736 6/20 0.41
PIK3R1 P27986 2/20 0.41
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TGFBR1 P36897 1/20 0.35
MTOR P42345 5/20 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
SCHEMBL21135844 0.89 PIK3CA (0.42) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL21135798 0.87 PIK3CA (0.41) PIK3CAALDH1A1PIK3CBPIK3CDPIK3CG
SCHEMBL21054267 0.84 PIKFYVE (0.53) PIK3CAPIK3CBPIK3CDLMNAMTOR
SCHEMBL30312319 0.84 PIKFYVE (0.53) PIK3CAPIK3CBPIK3CDLMNAMTOR
SCHEMBL21135831 0.84 PIK3CA (0.42) PIK3CACYP2C19PIK3CBPIK3CDPIK3CG
SCHEMBL21135797 0.83 PIK3CD (0.39) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL16611805 0.74 PIK3CA (0.54) PIK3CAHSD17B10ALDH1A1TP53CYP1A2
SCHEMBL21135843 0.74 PIKFYVE (0.43) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL21054262 0.74 PIKFYVE (0.56) PIK3CAPIK3CBPIK3CDLMNAMTOR
SCHEMBL30312395 0.74 PIKFYVE (0.58) PIK3CAPIK3CBPIK3CDLMNAMTOR

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