SCHEMBL26108808

SCHEMBL26108808

Cn1c(C2=CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)c(-c2ccc(F)cc2)c2c(N)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ SRC P12931 5/20 0.41
▸ EGFR P00533 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ TGFBR1 P36897 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ RET P07949 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ ABL2 P42684 2/20 0.38
▸ BTK Q06187 1/20 0.37
▸ ADK P55263 1/20 0.37
▸ CDK9 P50750 1/20 0.36

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
SCHEMBL30582636 1.00 HDAC2 (0.44) HDAC2HDAC1SRCEGFRMEN1
SCHEMBL30582555 0.92 SRC (0.50) SRCEGFRTGFBR1MAP4K4RET
SCHEMBL26108116 0.92 SRC (0.50) SRCEGFRTGFBR1MAP4K4RET
SCHEMBL26107804 0.91 SRC (0.42) HDAC2HDAC1SRCEGFRTGFBR1
SCHEMBL30582630 0.91 SRC (0.42) HDAC2HDAC1SRCEGFRTGFBR1
SCHEMBL30582647 0.90 SRC (0.41) HDAC2HDAC1SRCEGFRTGFBR1
SCHEMBL26108267 0.90 SRC (0.41) HDAC2HDAC1SRCEGFRTGFBR1
SCHEMBL30582607 0.89 HDAC2 (0.39) HDAC2HDAC1SRCEGFRTGFBR1
SCHEMBL26106956 0.89 HDAC2 (0.39) HDAC2HDAC1SRCEGFRTGFBR1
SCHEMBL30582600 0.89 SRC (0.44) SRCEGFRTGFBR1RETKDR

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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