SCHEMBL21135831

SCHEMBL21135831

C/C=N/Nc1nc(N2CCOCC2)c2cc(C(=O)NC3CC3)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.42
PIK3CD O00329 3/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
MAPK14 Q16539 2/20 0.40
LCK P06239 1/20 0.40
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
MAPK9 P45984 1/20 0.40
CNR2 P34972 3/20 0.38
PIKFYVE Q9Y2I7 1/20 0.38
MTOR P42345 2/20 0.37
RIPK2 O43353 2/20 0.37
CYP2C19 P33261 1/20 0.35
USP30 Q70CQ3 1/20 0.35
BRD4 O60885 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
SCHEMBL21135844 0.87 PIK3CA (0.42) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL30312344 0.85 PIKFYVE (0.56) PIK3CAPIK3CDPIK3CBMAPK14LCK
SCHEMBL23272119 0.85 PIKFYVE (0.56) PIK3CAPIK3CDPIK3CBMAPK14LCK
SCHEMBL21135798 0.85 PIK3CA (0.41) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL21135799 0.84 PIK3CA (0.42) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL21055518 0.83 PIKFYVE (0.56) PIK3CAPIK3CDPIK3CBMAPK14LCK
SCHEMBL21054923 0.82 PIKFYVE (0.55) PIK3CAPIK3CDPIK3CBMAPK14PIKFYVE
SCHEMBL30312431 0.82 PIKFYVE (0.55) PIK3CAPIK3CDPIK3CBMAPK14PIKFYVE
SCHEMBL21054281 0.82 PIKFYVE (0.55) PIK3CAPIK3CDPIK3CBMAPK14LCK
SCHEMBL30312522 0.82 PIKFYVE (0.55) PIK3CAPIK3CDPIK3CBMAPK14LCK

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