SCHEMBL16054692

SCHEMBL16054692

CCOC(=O)CC1(c2ccc(-n3/c(=N\C#N)n(C)c4cnc5ccc(Br)cc5c43)cc2)COC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.39
▸ PIK3CA P42336 8/20 0.36
▸ MTOR P42345 8/20 0.36
▸ PIK3C2A O00443 2/20 0.36
▸ PIK3C2B O00750 2/20 0.36
▸ ATM Q13315 5/20 0.35
▸ MAPT P10636 1/20 0.35
▸ USP14 P54578 4/20 0.34
▸ PIK3CD O00329 4/20 0.33
▸ PIK3CB P42338 4/20 0.33
▸ PIK3CG P48736 4/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ATR Q13535 2/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ CSF1R P07333 1/20 0.31

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
SCHEMBL16054694 1.00 RXFP1 (0.39) RXFP1PIK3CAMTORPIK3C2APIK3C2B
SCHEMBL16055241 0.91 ATM (0.36) RXFP1PIK3CAMTORPIK3C2APIK3C2B
SCHEMBL16055242 0.91 ATM (0.36) RXFP1PIK3CAMTORPIK3C2APIK3C2B
SCHEMBL16055020 0.87 MTOR (0.43) RXFP1PIK3CAMTORPIK3C2APIK3C2B
SCHEMBL16054426 0.84 RXFP1 (0.36) RXFP1ATMMAPTUSP14MAPK1
SCHEMBL16054425 0.84 RXFP1 (0.36) RXFP1ATMMAPTUSP14MAPK1
SCHEMBL16054732 0.84 MTOR (0.40) PIK3CAMTORPIK3C2APIK3C2BATM
SCHEMBL16054734 0.84 MTOR (0.40) PIK3CAMTORPIK3C2APIK3C2BATM
SCHEMBL16054431 0.78 RXFP1 (0.39) RXFP1PIK3CAMTORATMMAPT
SCHEMBL16054433 0.78 PIK3CA (0.34) PIK3CAMTORPIK3C2APIK3C2BATM

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
WO-2014141118-A1 IMIDAZO[4,5-C]QUINOLINE DERIVATIVES AND USES THEREOF Piramal Enterprises Limited (IN) 2014-09-18 — — WO disclosed
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