SCHEMBL30808207

SCHEMBL30808207

Cc1cc(C(C)N)c2nc(N3CCOCC3)cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.44
▸ PIK3CB P42338 9/20 0.42
▸ PIK3CA P42336 8/20 0.42
▸ PIK3CD O00329 7/20 0.42
▸ PIK3CG P48736 7/20 0.42
▸ MTOR P42345 4/20 0.42
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ ATR Q13535 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ SOS1 Q07889 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL18739747 0.81 PIK3CB (0.49) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL18739552 0.81 PIK3CA (0.53) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL18739258 0.80 PIK3CB (0.55) PIK3CBPIK3CAPIK3CDPIK3CGMTOR
SCHEMBL30808177 0.80 MET (0.47) METPIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL18739629 0.80 MET (0.47) METPIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL30808205 0.79 ALDH1A1 (0.40) PIK3CAMTORCRHBPCRHR2KMT2A
SCHEMBL30808196 0.79 ALDH1A1 (0.40) PIK3CAMTORCRHBPCRHR2KMT2A
SCHEMBL30808172 0.78 MET (0.46) METPIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL30858052 0.77 SOS1 (0.42) PIK3CAMTORCRHBPCRHR2KMT2A
SCHEMBL27384805 0.77 SOS1 (0.42) PIK3CAMTORCRHBPCRHR2KMT2A

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-2024026419-A1 QUINOXALINE DERIVATIVES AS PIK3 ALPHA MODULATORS BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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