SCHEMBL29194558

SCHEMBL29194558

COc1cccc(CN(Cc2ccc(N3CCOCC3)cc2)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 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CETP P11597 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ QPCT Q16769 2/20 0.36
▸ F10 P00742 1/20 0.36

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
SCHEMBL30245935 1.00 FGFR1 (0.42) FGFR1KDREPHB4MAPTLMNA
SCHEMBL30245502 0.95 FGFR1 (0.42) FGFR1KDREPHB4MAPTLMNA
SCHEMBL29194662 0.95 FGFR1 (0.42) FGFR1KDREPHB4MAPTLMNA
SCHEMBL25257583 0.94 CETP (0.37) FGFR1KDREPHB4MAPTCETP
SCHEMBL30245771 0.94 CETP (0.37) FGFR1KDREPHB4MAPTCETP
SCHEMBL29194746 0.93 KIT (0.39) CETPQPCTF10KITFLT3
SCHEMBL30245083 0.93 KIT (0.39) CETPQPCTF10KITFLT3
SCHEMBL30244951 0.91 FGFR1 (0.40) FGFR1KDREPHB4MAPTLMNA
SCHEMBL30245060 0.90 PRKDC (0.41) FGFR1KDREPHB4MAPTLMNA
SCHEMBL30245088 0.89 MAPT (0.44) FGFR1KDREPHB4MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN claimed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN disclosed
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