SCHEMBL30869123

SCHEMBL30869123

CN(CCNc1cc(-n2cnnc2)cc2c1cnn2C1CCCCO1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.35
▸ SLC6A4 P31645 4/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.33
▸ ATR Q13535 4/20 0.32
▸ METAP2 P50579 1/20 0.31
▸ KRAS P01116 1/20 0.31
▸ HTR2A P28223 1/20 0.30

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
SCHEMBL30869147 0.95 METAP2 (0.36) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL30869028 0.87 HTR2C (0.35) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL30869059 0.86 ATR (0.40) RXRARXRBRXRGATRKRAS
SCHEMBL27376514 0.84 ATR (0.42) RXRARXRBRXRGATR
SCHEMBL30797851 0.82 ATR (0.43) RXRARXRBRXRGATR
SCHEMBL30869008 0.79 ATR (0.39) RXRARXRBRXRGATRKRAS
SCHEMBL30869053 0.79 ATR (0.34) RXRARXRBRXRGATR
SCHEMBL30869155 0.79 RXRA (0.37) RXRARXRBRXRG
SCHEMBL30869134 0.79 ATR (0.37) RXRARXRBRXRGATRKRAS
SCHEMBL32690920 0.78 — —

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-4584249-A1 NOVEL COMPOUNDS AS CK2 INHIBITORS Cambridge Enterprise Limited (GB) 2025-07-16 — — EP disclosed
WO-2024052702-A1 NOVEL COMPOUNDS AS CK2 INHIBITORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 — — WO disclosed
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