SCHEMBL20687073

SCHEMBL20687073

N#CCc1ccc(Nc2ncnc3ccc(-c4cccc5c4sc4ccc(-c6nc(Nc7ccc(CC#N)cc7)c7cc(-c8cccc9c8oc8ccccc89)ccc7n6)cc45)cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 11/20 0.53
▸ PIK3CA P42336 10/20 0.53
▸ PIK3CD O00329 3/20 0.52
▸ PIK3CB P42338 2/20 0.48
▸ DYRK1A Q13627 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ CYP1A2 P05177 5/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ TSHR P16473 4/20 0.37
▸ CLK4 Q9HAZ1 4/20 0.37
▸ USP2 O75604 3/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ RIPK2 O43353 1/20 0.36
▸ RIPK3 Q9Y572 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36

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
SCHEMBL17047563 0.86 PIK3CG (0.67) PIK3CGPIK3CAPIK3CDPIK3CBDYRK1A
SCHEMBL17047520 0.83 PIK3CG (0.67) PIK3CGPIK3CAPIK3CDPIK3CBDYRK1A
SCHEMBL23349770 0.72 ALOX5 (0.45) PIK3CDPIK3CBALDH1A1TSHRMAPT
SCHEMBL17047554 0.71 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL24217373 0.71 ALOX5 (0.47) PIK3CGPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL23349535 0.70 ALOX5 (0.43) PIK3CGPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL23349509 0.70 ALOX5 (0.42) PIK3CGPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL17047463 0.70 PIK3CG (0.77) PIK3CGPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL23349771 0.70 ALOX5 (0.46) PIK3CGPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL26712304 0.70 ALOX5 (0.41) PIK3CGPIK3CAPIK3CDPIK3CBALDH1A1

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-3110801-B1 6-ARYL-4-PHENYLAMINO-QUINAZOLINE ANALOGS AS PHOSPHOINOSITIDE-3-KINASE INHIBITORS COUNCIL SCIENT IND RES (IN) 2019-01-30 — — EP disclosed
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