SCHEMBL29727404

SCHEMBL29727404

COC(=O)c1cc(F)c(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.47
▸ F10 P00742 1/20 0.47
▸ BTK Q06187 4/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ AURKA O14965 3/20 0.44
▸ PDPK1 O15530 3/20 0.44
▸ AURKB Q96GD4 3/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ ALOX5AP P20292 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ SYK P43405 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ CTSK P43235 1/20 0.39

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
SCHEMBL22621256 1.00 MAP4K4 (0.47) MAP4K4F10BTKCA1CA2
SCHEMBL19934557 1.00 MAP4K4 (0.47) MAP4K4F10BTKCA1CA2
SCHEMBL19926339 0.91 MAP4K4 (0.48) MAP4K4F10BTKCA1CA2
SCHEMBL22608005 0.91 MAP4K4 (0.48) MAP4K4F10BTKCA1CA2
SCHEMBL22621309 0.91 F10 (0.47) MAP4K4F10BTKCA1CA2
SCHEMBL19934556 0.91 F10 (0.47) MAP4K4F10BTKCA1CA2
SCHEMBL29727403 0.91 F10 (0.47) MAP4K4F10BTKCA1CA2
SCHEMBL19926359 0.82 MAP4K4 (0.52) MAP4K4F10BTKCA1CA2
SCHEMBL28566874 0.82 HTT (0.54) MAP4K4F10BTKCA1CA2
SCHEMBL28307851 0.82 MAP4K4 (0.52) MAP4K4F10BTKCA1CA2

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
CN-109923107-B Process for preparing indole carboxamide compounds 百时美施贵宝公司 2022-06-14 — — CN disclosed
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