SCHEMBL26108199

SCHEMBL26108199

COc1cccc(-c2c(C3=CCC4(CC3)CCN(C(=O)OC(C)(C)C)CC4)n(C)c3ncnc(N)c23)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 17/20 0.52
▸ EGFR P00533 14/20 0.52
▸ ABL1 P00519 13/20 0.52
▸ ABL2 P42684 13/20 0.52
▸ CDK1 P06493 1/20 0.38
▸ ITK Q08881 1/20 0.38

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
SCHEMBL30582596 1.00 SRC (0.52) SRCEGFRABL1ABL2CDK1
SCHEMBL30582555 0.91 SRC (0.50) SRCEGFRABL1ABL2
SCHEMBL26108116 0.91 SRC (0.50) SRCEGFRABL1ABL2
SCHEMBL30582630 0.91 SRC (0.42) SRCEGFRABL1ABL2
SCHEMBL26107804 0.91 SRC (0.42) SRCEGFRABL1ABL2
SCHEMBL30582499 0.88 ITK (0.49) EGFRITK
SCHEMBL30582566 0.87 KIT (0.46) SRCEGFRABL1ABL2
SCHEMBL26107573 0.87 KIT (0.46) SRCEGFRABL1ABL2
SCHEMBL30582586 0.86 SRC (0.41) SRCEGFRABL1ABL2
SCHEMBL26108691 0.86 SRC (0.41) SRCEGFRABL1ABL2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024091370-A1 5,6-FUSED BICYCLIC HETEROAROMATIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2024-05-02 — — WO disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
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