SCHEMBL26109353

SCHEMBL26109353

Cn1c(C2=CCC3(CC2)CCN(C=CC=O)CC3)c(-c2cncnc2)c2c(N)ncnc21

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.32
▸ LRRK2 Q5S007 1/20 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

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
SCHEMBL26107955 0.91 RET (0.37) RETLRRK2PIK3CDABL1EGFR
SCHEMBL26109178 0.90 FGFR1 (0.31) —
SCHEMBL26108120 0.89 LRRK2 (0.32) LRRK2
SCHEMBL26108781 0.88 BTK (0.35) LRRK2EGFRKDR
SCHEMBL26107612 0.88 — —
SCHEMBL26106008 0.87 ITK (0.35) RETLRRK2EGFR
SCHEMBL26105475 0.87 LRRK2 (0.32) LRRK2
SCHEMBL26108002 0.87 SRC (0.37) RETPIK3CDABL1EGFRHCK
SCHEMBL26107393 0.87 LRRK2 (0.31) LRRK2
SCHEMBL26107398 0.87 — —

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 claimed
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