SCHEMBL30762505

SCHEMBL30762505

CC(=O)c1cc(C)cc2c(C#N)cc(N3CCOCC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ ATR Q13535 3/20 0.45
▸ ATRIP Q8WXE1 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ KDM4E B2RXH2 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HIF1A Q16665 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ PIK3C2B O00750 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39

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
SCHEMBL30762588 0.90 KDM4E (0.53) L3MBTL1HTTATMALDH1A1KDM4E
SCHEMBL30762409 0.89 ALDH1A1 (0.54) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30762537 0.88 HTT (0.49) L3MBTL1HTTATMATRATRIP
SCHEMBL30762601 0.85 HTT (0.47) L3MBTL1HTTATMATRATRIP
SCHEMBL30762378 0.85 KMT2A (0.42) L3MBTL1HTTATMALDH1A1KDM4E
SCHEMBL30762623 0.83 KMT2A (0.39) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL30762663 0.81 HTT (0.54) L3MBTL1HTTATMATRATRIP
SCHEMBL30762479 0.81 GPR119 (0.48) —
SCHEMBL30762399 0.80 HTT (0.50) L3MBTL1HTTATMATRATRIP
SCHEMBL30762595 0.80 ATR (0.46) ATRATRIPALDH1A1KDM4EHIF1A

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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