SCHEMBL26105731

SCHEMBL26105731

C=CC(=O)NC1CC2(CC=C(c3c(-c4ccc(Oc5ncccn5)cc4)c4c(N)ncnc4n3C)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.50
▸ BLK P51451 3/20 0.49
▸ EGFR P00533 2/20 0.49
▸ ERBB2 P04626 2/20 0.49
▸ TEC P42680 2/20 0.49
▸ BMX P51813 2/20 0.49
▸ ITK Q08881 2/20 0.49
▸ ERBB4 Q15303 2/20 0.49
▸ RET P07949 1/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ TXK P42681 1/20 0.49
▸ ABL1 P00519 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ YES1 P07947 1/20 0.44
▸ LYN P07948 1/20 0.44
▸ HCK P08631 1/20 0.44
▸ FGR P09769 1/20 0.44
▸ SRC P12931 1/20 0.44

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
SCHEMBL30582519 1.00 BTK (0.50) BTKBLKEGFRERBB2TEC
SCHEMBL26107236 0.92 BTK (0.43) BTKBLKEGFRERBB2TEC
SCHEMBL26109362 0.91 BTK (0.48) BTKBLKEGFRERBB2TEC
SCHEMBL30582530 0.91 BTK (0.48) BTKBLKEGFRERBB2TEC
SCHEMBL26587463 0.88 RET (0.41) BTKBLKEGFRERBB2TEC
SCHEMBL26587174 0.86 BTK (0.47) BTKBLKEGFRERBB2TEC
SCHEMBL26108493 0.85 LCK (0.39) BTKBLKEGFRERBB2TEC
SCHEMBL30582551 0.85 LCK (0.39) BTKBLKEGFRERBB2TEC
SCHEMBL30582498 0.85 BTK (0.50) BTKBLKEGFRERBB2TEC
SCHEMBL26587296 0.85 BTK (0.47) BTKBLKEGFRERBB2TEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO claimed
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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