SCHEMBL30762375

SCHEMBL30762375

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ATR Q13535 3/20 0.45
▸ ATRIP Q8WXE1 1/20 0.45
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PIK3CA P42336 2/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SOS1 Q07889 2/20 0.37
▸ CRHBP P24387 1/20 0.36

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
SCHEMBL30762530 0.89 HTT (0.49) HTTATML3MBTL1ATRATRIP
SCHEMBL30762573 0.88 HTT (0.50) HTTATML3MBTL1ATRATRIP
SCHEMBL30762539 0.87 KMT2A (0.40) HTTATML3MBTL1ATRATRIP
SCHEMBL30762461 0.84 HTT (0.47) HTTATML3MBTL1ATRATRIP
SCHEMBL30762411 0.81 HTT (0.54) HTTATML3MBTL1ATRATRIP
SCHEMBL30762585 0.80 CNR1 (0.37) HTTATML3MBTL1ATRATRIP
SCHEMBL30762647 0.79 HTT (0.45) HTTATML3MBTL1ATRATRIP
SCHEMBL30762385 0.79 HTT (0.47) HTTATML3MBTL1ATRATRIP
SCHEMBL30762537 0.78 HTT (0.49) HTTATML3MBTL1ATRATRIP
SCHEMBL30762399 0.77 HTT (0.50) HTTATML3MBTL1ATRATRIP

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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