SCHEMBL30353552

SCHEMBL30353552

O=C(O)COc1c(Cl)nc(N2CCOCC2)nc1OCc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 5/20 0.44
▸ PRKDC P78527 6/20 0.44
▸ RAD52 P43351 1/20 0.43
▸ PIK3CA P42336 4/20 0.43
▸ PIK3CB P42338 3/20 0.42
▸ PIK3CG P48736 2/20 0.42
▸ AKT1 P31749 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ P2RY12 Q9H244 1/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ GRM5 P41594 1/20 0.40

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
SCHEMBL25626249 1.00 PIK3CD (0.44) PIK3CDPRKDCRAD52PIK3CAPIK3CB
SCHEMBL30353514 0.89 MTOR (0.47) PIK3CDRAD52PIK3CAPIK3CGAKT1
SCHEMBL25626250 0.89 MTOR (0.47) PIK3CDRAD52PIK3CAPIK3CGAKT1
SCHEMBL25626207 0.80 RAD52 (0.44) PIK3CDPRKDCRAD52PIK3CAPIK3CB
SCHEMBL30353557 0.80 RAD52 (0.44) PIK3CDPRKDCRAD52PIK3CAPIK3CB
SCHEMBL25269019 0.73 ALDH1A1 (0.55) PIK3CDPRKDCRAD52PIK3CAPIK3CB
SCHEMBL30353541 0.73 ALDH1A1 (0.55) PIK3CDPRKDCRAD52PIK3CAPIK3CB
SCHEMBL31547982 0.71 PIK3CA (0.57) PIK3CACYP11B2PIK3R1
SCHEMBL24099574 0.71 PIK3CA (0.57) PIK3CACYP11B2PIK3R1
SCHEMBL31547953 0.71 PIK3CD (0.39) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118946360-A Bicyclic heteroarenes and methods of use thereof 奇尼塔公司 2024-11-12 — — CN disclosed
EP-4161523-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Yumanity Therapeutics, Inc. (US) 2023-04-12 — — EP disclosed
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