SCHEMBL26107236

SCHEMBL26107236

Cn1c(C2=CCC3(CC2)CC(NC(=O)O)C3)c(-c2ccc(Oc3ncccn3)cc2)c2c(N)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.43
▸ BLK P51451 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ RET P07949 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ TEC P42680 1/20 0.42
▸ TXK P42681 1/20 0.42
▸ BMX P51813 1/20 0.42
▸ ITK Q08881 1/20 0.42
▸ ERBB4 Q15303 1/20 0.42
▸ LCK P06239 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ TEK Q02763 2/20 0.39

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 0.92 BTK (0.50) BTKBLKEGFRERBB2RET
SCHEMBL26105731 0.92 BTK (0.50) BTKBLKEGFRERBB2RET
SCHEMBL26587463 0.91 RET (0.41) BTKBLKEGFRERBB2RET
SCHEMBL26109460 0.90 RIPK2 (0.43) BTKBLKEGFRERBB2RET
SCHEMBL30582551 0.88 LCK (0.39) BTKBLKEGFRERBB2RET
SCHEMBL26108493 0.88 LCK (0.39) BTKBLKEGFRERBB2RET
SCHEMBL26106734 0.84 LCK (0.38) BTKBLKEGFRERBB2RET
SCHEMBL26107050 0.84 LCK (0.40) BTKBLKEGFRERBB2RET
SCHEMBL26587174 0.82 BTK (0.47) BTKBLKEGFRERBB2RET
SCHEMBL26587204 0.82 CYP3A4 (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-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
Send feedback