SCHEMBL26109562

SCHEMBL26109562

COc1ccc(-c2c(C3CCC4(CC3)CC(NC(=O)O)C4)n(C)c3ncnc(N)c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 9/20 0.47
▸ BTK Q06187 7/20 0.42
▸ SRC P12931 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ABL2 P42684 1/20 0.41
▸ KDR P35968 2/20 0.41
▸ TEK Q02763 2/20 0.41
▸ LCK P06239 1/20 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
SCHEMBL26104736 0.90 BTK (0.49) RIPK2BTKSRCABL1EGFR
SCHEMBL30582611 0.90 BTK (0.49) RIPK2BTKSRCABL1EGFR
SCHEMBL30582634 0.90 RIPK2 (0.46) RIPK2BTKSRCABL1EGFR
SCHEMBL30582549 0.86 RIPK2 (0.49) RIPK2SRCABL1EGFRABL2
SCHEMBL26107090 0.86 RIPK2 (0.49) RIPK2SRCABL1EGFRABL2
SCHEMBL26109460 0.81 RIPK2 (0.43) RIPK2BTKSRCABL1EGFR
SCHEMBL22676206 0.73 ITK (0.60) BTKKDR
SCHEMBL30582530 0.73 BTK (0.48) RIPK2BTKSRCABL1EGFR
SCHEMBL26109362 0.73 BTK (0.48) RIPK2BTKSRCABL1EGFR
SCHEMBL30582631 0.72 PDE2A (0.43) RIPK2BTKSRCABL1EGFR

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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