SCHEMBL26108691

SCHEMBL26108691

Cn1c(C2=CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)c(-c2ccc(Oc3ncccn3)cc2)c2c(N)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.41
▸ EGFR P00533 3/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ ABL2 P42684 2/20 0.39
▸ BTK Q06187 8/20 0.39
▸ TNK2 Q07912 1/20 0.38
▸ TGFBR1 P36897 1/20 0.36
▸ RET P07949 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MAP4K4 O95819 1/20 0.35

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
SCHEMBL30582586 1.00 SRC (0.41) SRCEGFRABL1ABL2BTK
SCHEMBL26105312 0.96 SRC (0.40) SRCEGFRABL1ABL2BTK
SCHEMBL30582598 0.96 SRC (0.40) SRCEGFRABL1ABL2BTK
SCHEMBL26105368 0.94 SRC (0.40) SRCEGFRABL1ABL2BTK
SCHEMBL30582573 0.94 SRC (0.40) SRCEGFRABL1ABL2BTK
SCHEMBL26108116 0.90 SRC (0.50) SRCEGFRABL1ABL2BTK
SCHEMBL30582555 0.90 SRC (0.50) SRCEGFRABL1ABL2BTK
SCHEMBL30582636 0.88 HDAC2 (0.44) SRCEGFRABL1ABL2BTK
SCHEMBL26108808 0.88 HDAC2 (0.44) SRCEGFRABL1ABL2BTK
SCHEMBL26587296 0.88 BTK (0.47) EGFRBTKRET

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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