SCHEMBL30582590

SCHEMBL30582590

Cn1c(C2=CCC3(CCNCC3)CC2)c(-c2ccc(OC3CC3)nc2)c2c(N)ncnc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ SRC P12931 7/20 0.33
▸ LCK P06239 3/20 0.33
▸ TEK Q02763 2/20 0.33
▸ KDR P35968 1/20 0.32
▸ CSK P41240 1/20 0.32
▸ TDO2 P48775 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ ABL2 P42684 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 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
SCHEMBL30582593 1.00 KCNH2 (0.34) KCNH2PRKD3SRCLCKTEK
SCHEMBL26108928 1.00 KCNH2 (0.34) KCNH2PRKD3SRCLCKTEK
SCHEMBL30582625 0.89 KCNH2 (0.39) KCNH2SRCLCKTEKKDR
SCHEMBL26106994 0.89 KCNH2 (0.39) KCNH2SRCLCKTEKKDR
SCHEMBL26108721 0.86 KCNH2 (0.33) KCNH2PRKD3
SCHEMBL31219399 0.86 MAP4K4 (0.33) SRCLCKTEKKDRABL1
SCHEMBL30582523 0.85 ITK (0.43) EGFR
SCHEMBL26104650 0.85 ITK (0.43) EGFR
SCHEMBL30582602 0.85 DYRK1A (0.33) KCNH2SRCLCKTEKKDR
SCHEMBL26106237 0.85 DYRK1A (0.33) KCNH2SRCLCKTEKKDR

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
EP-4499616-A1 SPIROBICYCLIC COMPOUNDS Acerand Therapeutics (Hong Kong) Limited (HK) 2025-02-05 — — EP disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
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