SCHEMBL26108781

SCHEMBL26108781

Cn1c(C2=CCC3(CC2)CCN(C=CC=O)CC3)c(-c2ccc(F)cc2)c2c(N)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.35
▸ FGFR1 P11362 3/20 0.33
▸ FGFR2 P21802 3/20 0.33
▸ FGFR4 P22455 3/20 0.33
▸ FGFR3 P22607 3/20 0.33
▸ LRRK2 Q5S007 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RIPK2 O43353 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
▸ EGFR P00533 2/20 0.32
▸ IGF1R P08069 1/20 0.31
▸ DGAT1 O75907 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
SCHEMBL26109006 0.91 RIPK2 (0.35) FGFR1FGFR2FGFR4FGFR3LRRK2
SCHEMBL26108002 0.90 SRC (0.37) BTKFGFR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL26105801 0.89 PTPN11 (0.35) BTKFGFR1FGFR2FGFR4FGFR3
SCHEMBL26109178 0.89 FGFR1 (0.31) FGFR1FGFR2FGFR4FGFR3
SCHEMBL26107398 0.89 — —
SCHEMBL26109353 0.88 RET (0.32) LRRK2EGFRKDR
SCHEMBL26109846 0.88 KCNH2 (0.36) BTKEGFRKDRTEKPTPN11
SCHEMBL26106008 0.87 ITK (0.35) FGFR1FGFR2FGFR4FGFR3LRRK2
SCHEMBL26108120 0.87 LRRK2 (0.32) FGFR1FGFR2FGFR4FGFR3LRRK2
SCHEMBL26107996 0.87 ITK (0.35) BTKLRRK2RPS6KB1KITPTPN11

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