SCHEMBL28503271

SCHEMBL28503271

COc1c(CCCN2CCOCC2)ccc2c(=O)n(C(C)C)c(NC(=O)c3cnc(N)nc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 4/20 0.48
PIK3CD O00329 2/20 0.48
PIK3CA P42336 2/20 0.48
PIK3CG P48736 2/20 0.48
CHRM2 P08172 1/20 0.48
PIK3R1 P27986 1/20 0.48
MTOR P42345 1/20 0.48
RAB27A P51159 1/20 0.48
HDAC1 Q13547 3/20 0.39
AURKA O14965 6/20 0.38
AURKB Q96GD4 2/20 0.38
EGFR P00533 3/20 0.38
KDR P35968 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
ROCK2 O75116 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38

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
SCHEMBL28491690 0.92 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL28504254 0.90 PIK3CB (0.46) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL23965973 0.90 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL28508539 0.88 PIK3CB (0.47) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL28504404 0.87 PIK3CB (0.46) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL22183750 0.81 PIK3CB (0.45) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL23965974 0.81 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL24211157 0.80 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL23966084 0.79 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGCHRM2
SCHEMBL23966009 0.79 MTOR (0.36) PIK3CBPIK3CAMTORHDAC1AURKA

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
CN-109516961-B Aminoquinazolinone and aminoisoquinolinone derivatives and uses thereof 浙江大学 2021-01-01 CN disclosed