SCHEMBL30808201

SCHEMBL30808201

Cc1cc(Br)c2nc(N3CCCCC3)cnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 4/20 0.49
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HRH4 Q9H3N8 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PRNP P04156 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL30808192 0.99 MET (0.50) METL3MBTL1KDM4EGAATDP1
SCHEMBL30808197 0.96 MET (0.50) METL3MBTL1KDM4EGAATDP1
SCHEMBL30808150 0.87 MET (0.41) METL3MBTL1KDM4EGAATDP1
SCHEMBL18739629 0.86 MET (0.47) METKDM4EGAATDP1SMN1; SMN2
SCHEMBL30808177 0.86 MET (0.47) METKDM4EGAATDP1SMN1; SMN2
SCHEMBL30808190 0.79 MAPT (0.60) METKDM4EGAAHRH4SMN1; SMN2
SCHEMBL30808172 0.79 MET (0.46) METL3MBTL1KDM4EGAATDP1
SCHEMBL30808162 0.79 SMN1; SMN2 (0.48) METL3MBTL1KDM4EGAATDP1
SCHEMBL28998457 0.76 HPGD (0.42) KDM4EGAASMN1; SMN2NPSR1TSHR
SCHEMBL30808174 0.75 CYP1A2 (0.50) KDM4ETDP1HRH4SMN1; SMN2CRHBP

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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