SCHEMBL30762647

SCHEMBL30762647

CC(Nc1cccnc1)c1cc(Cl)cc2c(C#N)cc(N3CCOCC3)nc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PIK3CB P42338 14/20 0.44
▸ ATR Q13535 3/20 0.43
▸ SOS1 Q07889 2/20 0.42
▸ PIK3CA P42336 8/20 0.42
▸ PIK3CD O00329 5/20 0.42
▸ PIK3CG P48736 5/20 0.42
▸ PIK3R1 P27986 1/20 0.42
▸ CSNK1A1 P48729 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ ATRIP Q8WXE1 1/20 0.41
▸ MTOR P42345 2/20 0.40

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
SCHEMBL30762544 0.82 PIK3CA (0.49) HTTATML3MBTL1PIK3CBATR
SCHEMBL30762375 0.79 HTT (0.49) HTTATML3MBTL1PIK3CBATR
SCHEMBL30762530 0.79 HTT (0.49) HTTATML3MBTL1ATRSOS1
SCHEMBL30762555 0.79 PIK3CA (0.57) HTTATML3MBTL1PIK3CBPIK3CA
SCHEMBL30762384 0.79 PIK3CA (0.57) HTTATML3MBTL1PIK3CBPIK3CA
SCHEMBL30762648 0.79 PIK3CA (0.57) HTTATML3MBTL1PIK3CBPIK3CA
SCHEMBL30762559 0.78 PIK3CB (0.48) HTTATML3MBTL1PIK3CBPIK3CA
SCHEMBL30762403 0.75 PIK3CB (0.46) HTTATML3MBTL1PIK3CBATR
SCHEMBL30762411 0.72 HTT (0.54) HTTATML3MBTL1PIK3CBATR
SCHEMBL910071 0.70 PIK3CB (0.81) PIK3CBPIK3CAPIK3CDPIK3CGPIK3R1

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-2024026423-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS PI3K INHIBITORS BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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