SCHEMBL26106956

SCHEMBL26106956

Cn1c(C2=CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)c(-c2cncc(F)c2)c2c(N)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ SRC P12931 5/20 0.37
▸ EGFR P00533 3/20 0.37
▸ ABL1 P00519 2/20 0.36
▸ ABL2 P42684 2/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ TGFBR1 P36897 1/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ MTOR P42345 2/20 0.35
▸ RET P07949 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ CDK9 P50750 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34

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
SCHEMBL30582607 1.00 HDAC2 (0.39) HDAC2HDAC1SRCEGFRABL1
SCHEMBL26107804 0.90 SRC (0.42) HDAC2HDAC1SRCEGFRABL1
SCHEMBL30582630 0.90 SRC (0.42) HDAC2HDAC1SRCEGFRABL1
SCHEMBL26108808 0.89 HDAC2 (0.44) HDAC2HDAC1SRCEGFRABL1
SCHEMBL30582636 0.89 HDAC2 (0.44) HDAC2HDAC1SRCEGFRABL1
SCHEMBL30582566 0.87 KIT (0.46) SRCEGFRABL1ABL2MAP4K4
SCHEMBL26107573 0.87 KIT (0.46) SRCEGFRABL1ABL2MAP4K4
SCHEMBL26588036 0.87 FGFR1 (0.42) EGFRJAK2
SCHEMBL30582604 0.86 SRC (0.40) SRCEGFRABL1ABL2MAP4K4
SCHEMBL26134541 0.86 SRC (0.40) SRCEGFRABL1ABL2MAP4K4

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
Send feedback