SCHEMBL30808192

SCHEMBL30808192

Cc1cc(Br)c2nc(N3CCCC3)cnc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 6/20 0.50
▸ L3MBTL1 Q9Y468 5/20 0.40
▸ HRH4 Q9H3N8 3/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ GAA P10253 4/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HCRTR2 O43614 2/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL30808201 0.99 MET (0.49) METL3MBTL1HRH4KDM4EGAA
SCHEMBL30808197 0.97 MET (0.50) METL3MBTL1HRH4KDM4EGAA
SCHEMBL30808150 0.88 MET (0.41) METL3MBTL1HRH4KDM4EGAA
SCHEMBL30808177 0.87 MET (0.47) METKDM4EGAATDP1MAPK1
SCHEMBL18739629 0.87 MET (0.47) METKDM4EGAATDP1MAPK1
SCHEMBL30808190 0.80 MAPT (0.60) METHRH4KDM4EGAAHTR3A
SCHEMBL30808162 0.77 SMN1; SMN2 (0.48) METL3MBTL1KDM4EGAATDP1
SCHEMBL30808172 0.77 MET (0.46) METL3MBTL1KDM4EGAATDP1
SCHEMBL18739631 0.76 ALDH1A1 (0.43) METHRH4KDM4EGAATDP1
SCHEMBL30762533 0.76 KDM4E (0.43) L3MBTL1HRH4KDM4EGAATDP1

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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