SCHEMBL27377428

SCHEMBL27377428

COc1nn(C2CCCCO2)cc1-c1cc(NCCOCCCCNC(=O)OC(C)(C)C)c2cnn(C3CCCCO3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 3/20 0.39
▸ KRAS P01116 1/20 0.33
▸ BRD4 O60885 10/20 0.32
▸ FPR3 P25089 2/20 0.32
▸ FPR2 P25090 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ BRAF P15056 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
SCHEMBL30797547 0.87 ATR (0.42) ATRKRASBRD4FPR3FPR2
SCHEMBL30797857 0.85 ATR (0.41) ATRKRASBRD4FPR3FPR2
SCHEMBL30797714 0.84 ATR (0.41) ATRKRASBRD4FPR3FPR2
SCHEMBL27377150 0.84 ATR (0.41) ATRKRASBRD4FPR3FPR2
SCHEMBL30797611 0.83 ATR (0.47) ATRRXRARXRBRXRG
SCHEMBL30869074 0.83 ATR (0.43) ATRBRD4FPR3FPR2RXRA
SCHEMBL30797730 0.83 ATR (0.44) ATRBRD4FPR3FPR2RXRA
SCHEMBL30797974 0.83 ATR (0.44) ATRKRASBRD4FPR3FPR2
SCHEMBL30797688 0.83 ATR (0.44) ATRKRASBRD4FPR3FPR2
SCHEMBL30797751 0.82 BRD4 (0.46) ATRKRASBRD4FPR3FPR2

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 5 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
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
WO-2024052701-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 — — WO disclosed
WO-2024052702-A1 NOVEL COMPOUNDS AS CK2 INHIBITORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 — — WO disclosed
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