SCHEMBL25469415

SCHEMBL25469415

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc4c5c(nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)nc5n3)-c3ccccc3-4)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.39
▸ ADORA1 P30542 8/20 0.39
▸ ADORA3 P0DMS8 7/20 0.39
▸ POLB P06746 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ DPP4 P27487 4/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL25472121 0.97 ADORA1 (0.41) ADORA2AADORA1ADORA3POLBADORA2B
SCHEMBL25472734 0.95 ADORA1 (0.41) ADORA2AADORA1ADORA3POLBADORA2B
SCHEMBL25469404 0.89 ADORA3 (0.45) ADORA2AADORA1ADORA3POLBADORA2B
SCHEMBL25469768 0.86 ADORA2A (0.43) ADORA2AADORA1ADORA3POLBL3MBTL1
SCHEMBL25472122 0.86 CYP19A1 (0.47) POLBNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL25469500 0.86 CYP19A1 (0.47) POLBNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL25472730 0.85 L3MBTL1 (0.45) ADORA2AADORA1ADORA3POLBADORA2B
SCHEMBL25469593 0.83 ESR1 (0.42) ADORA2AADORA1ADORA3MAPTMAOB
SCHEMBL25472731 0.83 MEN1 (0.54) ADORA2AADORA1ADORA3L3MBTL1MAPT
SCHEMBL25472733 0.83 MEN1 (0.54) ADORA2AADORA1ADORA3L3MBTL1MAPT

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-2023082808-A1 TETRAAZA-FLUORANTHENE COMPOUND AND APPLICATION THEREOF 上海八亿时空先进材料有限公司 2023-05-19 — — WO disclosed
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