SCHEMBL26109006

SCHEMBL26109006

Cn1c(C2=CCC3(CC2)CCN(C=CC=O)CC3)c(-c2cccc(F)c2)c2c(N)ncnc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.35
▸ PTPN11 Q06124 3/20 0.34
▸ EGFR P00533 2/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ MAP4K4 O95819 4/20 0.34
▸ FGFR1 P11362 2/20 0.33
▸ FGFR2 P21802 2/20 0.33
▸ FGFR4 P22455 2/20 0.33
▸ FGFR3 P22607 2/20 0.33
▸ SRC P12931 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ RIPK1 Q13546 1/20 0.32
▸ EIF2AK3 Q9NZJ5 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RPS6KB1 P23443 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
SCHEMBL26108781 0.91 BTK (0.35) RIPK2PTPN11EGFRLRRK2FGFR1
SCHEMBL26109317 0.89 SRC (0.41) EGFRSRCPIK3CD
SCHEMBL26109178 0.89 FGFR1 (0.31) FGFR1FGFR2FGFR4FGFR3
SCHEMBL26107955 0.87 RET (0.37) EGFRLRRK2SRCPIK3CDEIF2AK3
SCHEMBL26107398 0.86 — —
SCHEMBL26109353 0.86 RET (0.32) EGFRLRRK2SRCPIK3CD
SCHEMBL26109533 0.85 KIT (0.35) FGFR1FGFR2FGFR4FGFR3PIK3CD
SCHEMBL26105475 0.85 LRRK2 (0.32) LRRK2
SCHEMBL30582620 0.84 RIPK2 (0.40) RIPK2PTPN11EGFRLRRK2MAP4K4
SCHEMBL26109630 0.84 RIPK2 (0.40) RIPK2PTPN11EGFRLRRK2MAP4K4

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
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO claimed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
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