SCHEMBL26107761

SCHEMBL26107761

Cn1c(C2=CC[C@@]3(CC2)CCN(C=CC=O)C3)c(-c2ccc(Oc3ncccn3)cc2)c2c(N)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.35
▸ BLK P51451 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ RET P07949 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ TEC P42680 1/20 0.35
▸ TXK P42681 1/20 0.35
▸ BMX P51813 1/20 0.35
▸ ITK Q08881 1/20 0.35
▸ ERBB4 Q15303 1/20 0.35
▸ LCK P06239 5/20 0.35
▸ KDR P35968 5/20 0.35
▸ TEK Q02763 5/20 0.35
▸ NUDT14 O95848 1/20 0.33
▸ NUDT5 Q9UKK9 1/20 0.33

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
SCHEMBL26109060 0.96 BTK (0.35) BTKBLKEGFRERBB2RET
SCHEMBL26108768 0.96 BTK (0.36) BTKBLKEGFRERBB2RET
SCHEMBL26108002 0.86 SRC (0.37) BTKBLKEGFRERBB2RET
SCHEMBL26106963 0.85 BTK (0.37) BTKBLKEGFRERBB2RET
SCHEMBL26109846 0.84 KCNH2 (0.36) BTKBLKEGFRERBB2RET
SCHEMBL30582498 0.84 BTK (0.50) BTKBLKEGFRERBB2RET
SCHEMBL26105801 0.84 PTPN11 (0.35) BTKBLKEGFRERBB2RET
SCHEMBL26106734 0.84 LCK (0.38) BTKBLKEGFRERBB2RET
SCHEMBL26108781 0.83 BTK (0.35) BTKEGFRKDRTEK
SCHEMBL26107050 0.83 LCK (0.40) BTKBLKEGFRERBB2RET

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 2 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-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
Send feedback