SCHEMBL26109831

SCHEMBL26109831

Cc1ccnc(-c2c(C3=CCC4(CC3)CCN(C=CC=O)CC4)n(C)c3ncnc(N)c23)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL26105475 0.90 LRRK2 (0.32) —
SCHEMBL26107398 0.85 — —
SCHEMBL26107393 0.85 LRRK2 (0.31) —
SCHEMBL26107075 0.84 RET (0.32) —
SCHEMBL26108735 0.84 RET (0.31) —
SCHEMBL30582535 0.84 JAK2 (0.36) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL26106100 0.83 — —
SCHEMBL26108120 0.83 LRRK2 (0.32) FGFR1FGFR2FGFR4FGFR3
SCHEMBL26108781 0.83 BTK (0.35) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL26109353 0.83 RET (0.32) —

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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