SCHEMBL26109460

SCHEMBL26109460

COc1ccc(-c2c(C3=CCC4(CC3)CC(NC(=O)O)C4)n(C)c3ncnc(N)c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 6/20 0.43
▸ BTK Q06187 13/20 0.40
▸ BLK P51451 2/20 0.39
▸ EGFR P00533 2/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ RET P07949 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ TEC P42680 1/20 0.39
▸ TXK P42681 1/20 0.39
▸ BMX P51813 1/20 0.39
▸ ITK Q08881 1/20 0.39
▸ ERBB4 Q15303 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ ABL2 P42684 1/20 0.38

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
SCHEMBL26109362 0.91 BTK (0.48) RIPK2BTKBLKEGFRERBB2
SCHEMBL30582530 0.91 BTK (0.48) RIPK2BTKBLKEGFRERBB2
SCHEMBL26107236 0.90 BTK (0.43) BTKBLKEGFRERBB2RET
SCHEMBL30582631 0.90 PDE2A (0.43) RIPK2BTKEGFRRETABL1
SCHEMBL30582623 0.87 RIPK2 (0.45) RIPK2EGFRABL1SRCABL2
SCHEMBL26108141 0.87 RIPK2 (0.45) RIPK2EGFRABL1SRCABL2
SCHEMBL26108026 0.82 SRC (0.44) RIPK2EGFRABL1SRCABL2
SCHEMBL30582544 0.82 SRC (0.44) RIPK2EGFRABL1SRCABL2
SCHEMBL30582519 0.82 BTK (0.50) BTKBLKEGFRERBB2RET
SCHEMBL26105731 0.82 BTK (0.50) 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
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