SCHEMBL30797751

SCHEMBL30797751

Cc1noc(C)c1-c1cc(NCCOCCCCNC(=O)OC(C)(C)C)c2cnn(C3CCCCO3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.46
▸ ATR Q13535 3/20 0.41
▸ ACACB O00763 1/20 0.36
▸ NR3C1 P04150 1/20 0.34
▸ KRAS P01116 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ DYRK1A Q13627 2/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ FPR3 P25089 1/20 0.32
▸ FPR2 P25090 1/20 0.32

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
SCHEMBL30797857 0.89 ATR (0.41) BRD4ATRKRASRXRARXRB
SCHEMBL30797547 0.85 ATR (0.42) BRD4ATRKRASRXRARXRB
SCHEMBL30797730 0.85 ATR (0.44) BRD4ATRRXRARXRBRXRG
SCHEMBL30797688 0.85 ATR (0.44) BRD4ATRKRASRXRARXRB
SCHEMBL30797974 0.85 ATR (0.44) BRD4ATRKRASRXRARXRB
SCHEMBL30797677 0.84 ATR (0.41) BRD4ATRRXRARXRBRXRG
SCHEMBL30797714 0.84 ATR (0.41) BRD4ATRKRASRXRARXRB
SCHEMBL27377168 0.84 ATR (0.41) BRD4ATRRXRARXRBRXRG
SCHEMBL30797873 0.84 ATR (0.41) BRD4ATRRXRARXRBRXRG
SCHEMBL27377014 0.84 ATR (0.41) BRD4ATRRXRARXRBRXRG

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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