SCHEMBL30762663

SCHEMBL30762663

Cc1cc(Br)c2nc(N3CCOCC3)cc(C#N)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.54
▸ ATM Q13315 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ATR Q13535 2/20 0.48
▸ ATRIP Q8WXE1 1/20 0.48
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ KHK P50053 1/20 0.40
▸ PIK3CA P42336 2/20 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
SCHEMBL30762373 0.89 KDM4E (0.46) HTTATML3MBTL1ATRATRIP
SCHEMBL30762620 0.88 KDM4E (0.45) HTTATML3MBTL1KMT2ASMN1; SMN2
SCHEMBL30762411 0.85 HTT (0.54) HTTATML3MBTL1ATRATRIP
SCHEMBL30762372 0.83 MAPT (0.43) HTTATML3MBTL1ATRATRIP
SCHEMBL30762490 0.81 MAP4K4 (0.38) HTTATML3MBTL1ATRATRIP
SCHEMBL30762505 0.81 L3MBTL1 (0.50) HTTATML3MBTL1ATRATRIP
SCHEMBL30762399 0.81 HTT (0.50) HTTATML3MBTL1ATRATRIP
SCHEMBL30762573 0.81 HTT (0.50) HTTATML3MBTL1ATRATRIP
SCHEMBL30762651 0.78 ALDH1A1 (0.51) HTTATML3MBTL1KMT2AMEN1
SCHEMBL30762605 0.74 SMN1; SMN2 (0.49) HTTATRATRIPKMT2ASMN1; SMN2

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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