SCHEMBL30797857

SCHEMBL30797857

Cc1nocc1-c1cc(NCCOCCCCNC(=O)OC(C)(C)C)c2cnn(C3CCCCO3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 3/20 0.41
▸ BRD4 O60885 9/20 0.35
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ KRAS P01116 1/20 0.32
▸ FPR3 P25089 2/20 0.32
▸ FPR2 P25090 2/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ TLR2 O60603 1/20 0.31
▸ TLR1 Q15399 1/20 0.31
▸ SCN9A Q15858 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
SCHEMBL30797751 0.89 BRD4 (0.46) ATRBRD4RXRARXRBRXRG
SCHEMBL30797714 0.88 ATR (0.41) ATRBRD4RXRARXRBRXRG
SCHEMBL27377150 0.88 ATR (0.41) ATRBRD4RXRARXRBRXRG
SCHEMBL30797974 0.86 ATR (0.44) ATRBRD4RXRARXRBRXRG
SCHEMBL30797547 0.85 ATR (0.42) ATRBRD4RXRARXRBRXRG
SCHEMBL30797730 0.85 ATR (0.44) ATRBRD4RXRARXRBRXRG
SCHEMBL30797688 0.85 ATR (0.44) ATRBRD4RXRARXRBRXRG
SCHEMBL27377428 0.85 ATR (0.39) ATRBRD4RXRARXRBRXRG
SCHEMBL30797873 0.84 ATR (0.41) ATRBRD4RXRARXRBRXRG
SCHEMBL30797677 0.84 ATR (0.41) ATRBRD4RXRARXRBRXRG

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-4584266-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF Cambridge Enterprise Limited (GB) 2025-07-16 — — EP disclosed
WO-2024052701-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 — — WO disclosed
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