SCHEMBL26106994

SCHEMBL26106994

Cn1c(C2=CCC3(CCNCC3)CC2)c(-c2ccc(OC3CC3)cc2)c2c(N)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.39
▸ LCK P06239 5/20 0.38
▸ TEK Q02763 3/20 0.38
▸ KDR P35968 2/20 0.38
▸ SRC P12931 9/20 0.38
▸ DYRK1A Q13627 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ CSK P41240 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ABL2 P42684 1/20 0.35

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
SCHEMBL30582625 1.00 KCNH2 (0.39) KCNH2LCKTEKKDRSRC
SCHEMBL30582544 0.89 SRC (0.44) LCKTEKKDRSRCABL1
SCHEMBL26108026 0.89 SRC (0.44) LCKTEKKDRSRCABL1
SCHEMBL30582593 0.89 KCNH2 (0.34) KCNH2LCKTEKKDRSRC
SCHEMBL30582590 0.89 KCNH2 (0.34) KCNH2LCKTEKKDRSRC
SCHEMBL26108928 0.89 KCNH2 (0.34) KCNH2LCKTEKKDRSRC
SCHEMBL30582602 0.89 DYRK1A (0.33) KCNH2LCKTEKKDRSRC
SCHEMBL26106237 0.89 DYRK1A (0.33) KCNH2LCKTEKKDRSRC
SCHEMBL30582628 0.88 LCK (0.37) KCNH2LCKTEKKDRSRC
SCHEMBL26105815 0.88 LCK (0.37) KCNH2LCKTEKKDRSRC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024091370-A1 5,6-FUSED BICYCLIC HETEROAROMATIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2024-05-02 — — WO disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
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