SCHEMBL30797547

SCHEMBL30797547

CC(C)(C)OC(=O)NCCCCOCCNc1cc(-c2cnn(C3CCCCO3)c2)cc2c1cnn2C1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 3/20 0.42
▸ FGFR1 P11362 3/20 0.34
▸ DDR2 Q16832 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ KRAS P01116 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ SYK P43405 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ FPR3 P25089 2/20 0.33
▸ FPR2 P25090 2/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ FGFR4 P22455 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
SCHEMBL30797974 0.88 ATR (0.44) ATRRXRARXRBRXRGKRAS
SCHEMBL30797688 0.88 ATR (0.44) ATRRXRARXRBRXRGKRAS
SCHEMBL27377428 0.87 ATR (0.39) ATRRXRARXRBRXRGKRAS
SCHEMBL30797677 0.86 ATR (0.41) ATRRXRARXRBRXRGBRD4
SCHEMBL30797873 0.86 ATR (0.41) ATRRXRARXRBRXRGBRD4
SCHEMBL27377014 0.86 ATR (0.41) ATRRXRARXRBRXRGBRD4
SCHEMBL27377168 0.86 ATR (0.41) ATRRXRARXRBRXRGBRD4
SCHEMBL30797730 0.86 ATR (0.44) ATRRXRARXRBRXRGBRD4
SCHEMBL30797751 0.85 BRD4 (0.46) ATRRXRARXRBRXRGKRAS
SCHEMBL30797857 0.85 ATR (0.41) ATRRXRARXRBRXRGKRAS

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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