SCHEMBL30245502

SCHEMBL30245502

COc1cccc(CN(Cc2cccc(N3CCOCC3)c2)c2ccnc(COCCOc3cccc(N(C)C)c3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ EPHB4 P54760 2/20 0.42
▸ MAPT P10636 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ AGXT P21549 1/20 0.37
▸ PRKDC P78527 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ QPCT Q16769 1/20 0.36
▸ F10 P00742 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ KDM4E B2RXH2 3/20 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
SCHEMBL29194662 1.00 FGFR1 (0.42) FGFR1KDREPHB4MAPTMAPK1
SCHEMBL29194558 0.95 FGFR1 (0.42) FGFR1KDREPHB4MAPTMAPK1
SCHEMBL30245935 0.95 FGFR1 (0.42) FGFR1KDREPHB4MAPTMAPK1
SCHEMBL25260059 0.93 QPCT (0.37) FGFR1KDREPHB4MAPTAGXT
SCHEMBL30245826 0.93 QPCT (0.37) FGFR1KDREPHB4MAPTAGXT
SCHEMBL25296124 0.92 NPC1 (0.38) MAPTAGXTALDH1A1QPCTKDM4E
SCHEMBL30245164 0.92 NPC1 (0.38) MAPTAGXTALDH1A1QPCTKDM4E
SCHEMBL30245601 0.91 AGXT (0.43) FGFR1KDREPHB4MAPTMAPK1
SCHEMBL30245183 0.90 AGXT (0.42) FGFR1KDREPHB4MAPTMAPK1
SCHEMBL25257583 0.89 CETP (0.37) FGFR1KDREPHB4MAPTQPCT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 — — EP claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO claimed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 — — WO claimed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 — — EP disclosed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO disclosed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 — — WO disclosed
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