SCHEMBL24899672

SCHEMBL24899672

COc1c(N)cccc1-c1ncc(SC(C)C)cn1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 9/20 0.32
▸ ALOX5AP P20292 2/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ HCK P08631 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ EPHB4 P54760 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ BMPR1A P36894 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31

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
SCHEMBL24899738 0.84 ALOX5AP (0.36) FYNALOX5APFEN1PIK3CDABL1
SCHEMBL24497661 0.79 TYK2 (0.37) FYNPIK3CABMPR1ATGFBR1ACVRL1
SCHEMBL29686380 0.78 FYN (0.43) FYNALOX5APFEN1BMPR1ATGFBR1
SCHEMBL26983724 0.78 ALOX5AP (0.38) FYNALOX5APFEN1BMPR1ATGFBR1
SCHEMBL24498523 0.78 FYN (0.35) FYNEPHB4BMPR1ATGFBR1ACVRL1
SCHEMBL23980135 0.78 FYN (0.43) FYNALOX5APFEN1BMPR1ATGFBR1
SCHEMBL23980714 0.77 CLK4 (0.41) FYNKDM4ELMNAMGAMGAA
SCHEMBL24899878 0.76 FYN (0.37) FYNALOX5APFEN1BMPR1ATGFBR1
SCHEMBL30780429 0.73 FYN (0.34) FYNKDRBMPR1ATGFBR1ACVRL1
SCHEMBL26983728 0.73 FYN (0.34) FYNKDRBMPR1ATGFBR1ACVRL1

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-2023284869-A1 SULFUR/PHOSPHORUS-CONTAINING ARYL COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 — — WO disclosed
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