SCHEMBL20687063

SCHEMBL20687063

C=Cc1ccc(-c2ccc3ncnc(Nc4ccc(CN=O)cc4)c3c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 9/20 0.71
▸ PIK3CA P42336 8/20 0.53
▸ BRAF P15056 5/20 0.49
▸ FYN P06241 3/20 0.49
▸ SRC P12931 3/20 0.49
▸ PIK3CD O00329 1/20 0.49
▸ PIK3CB P42338 1/20 0.49
▸ VCP P55072 1/20 0.49
▸ EGFR P00533 1/20 0.48
▸ RAF1 P04049 4/20 0.48
▸ USP2 O75604 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CLK4 Q9HAZ1 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL17047488 0.83 PIK3CG (1.00) PIK3CGPIK3CABRAFFYNSRC
SCHEMBL15051337 0.70 BRAF (0.84) PIK3CGPIK3CABRAFEGFRRAF1
SCHEMBL4357423 0.69 PIK3CG (0.53) PIK3CGRAF1USP2LMNACYP1A2
SCHEMBL17047521 0.69 PIK3CG (1.00) PIK3CGPIK3CABRAFPIK3CDPIK3CB
SCHEMBL17047554 0.69 PIK3CG (1.00) PIK3CGPIK3CABRAFPIK3CDPIK3CB
SCHEMBL12630756 0.68 ALDH1A1 (0.50) LMNAALDH1A1
SCHEMBL18382198 0.68 PIK3CG (0.81) PIK3CGPIK3CABRAFPIK3CDPIK3CB
SCHEMBL17047493 0.68 PIK3CG (1.00) PIK3CGPIK3CABRAFPIK3CDPIK3CB
SCHEMBL15051632 0.67 BRAF (0.73) PIK3CGPIK3CABRAFFYNSRC
SCHEMBL17047550 0.67 PIK3CG (1.00) PIK3CGPIK3CABRAFPIK3CDPIK3CB

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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