SCHEMBL300843

SCHEMBL300843

CO[C@H]1CC[C@H](n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc5nc[nH]c5c4)nc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 7/20 0.55
▸ PIK3CA P42336 6/20 0.55
▸ PIK3CB P42338 6/20 0.55
▸ PIK3CG P48736 6/20 0.55
▸ CSNK2A1 P68400 10/20 0.44
▸ CSNK2A2 P19784 1/20 0.44
▸ CSNK2B P67870 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PIK3R1 P27986 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39

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
SCHEMBL300837 1.00 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGCSNK2A1
SCHEMBL300836 1.00 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGCSNK2A1
SCHEMBL300862 0.90 PIK3CA (0.66) PIK3CDPIK3CAPIK3CBPIK3CGCSNK2A1
SCHEMBL301177 0.87 PIK3CA (0.51) PIK3CDPIK3CAPIK3CBPIK3CGCSNK2A1
SCHEMBL301178 0.87 PIK3CA (0.51) PIK3CDPIK3CAPIK3CBPIK3CGCSNK2A1
SCHEMBL300917 0.84 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGCSNK2A1
SCHEMBL300916 0.84 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGCSNK2A1
SCHEMBL300840 0.83 PIK3CB (0.80) PIK3CDPIK3CAPIK3CBPIK3CGCSNK2A1
SCHEMBL301214 0.83 PIK3CB (0.80) PIK3CDPIK3CAPIK3CBPIK3CGCSNK2A1
SCHEMBL300841 0.83 PIK3CB (0.80) PIK3CDPIK3CAPIK3CBPIK3CGCSNK2A1

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
EP-2078018-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARM LLC (US) 2012-03-14 — — EP claimed
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