SCHEMBL25048213

SCHEMBL25048213

CCOC(CCc1cn([C@H]2CC[C@@H](C=O)C2)c2ncnc(N)c12)OCC

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 6/20 0.38
▸ SRC P12931 13/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ABL2 P42684 1/20 0.37

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
SCHEMBL25048352 0.74 METTL3 (0.47) RIPK2SRCABL1EGFRABL2
SCHEMBL25047670 0.70 METTL3 (0.34) SRCABL1EGFRABL2
SCHEMBL31617866 0.70 METTL3 (0.34) SRCABL1EGFRABL2
SCHEMBL30941497 0.70 METTL3 (0.34) RIPK2SRCABL1EGFRABL2
SCHEMBL23834528 0.68 HASPIN (0.52) RIPK2SRCABL1EGFRABL2
SCHEMBL30054773 0.68 HASPIN (0.52) RIPK2SRCABL1EGFRABL2
SCHEMBL23703132 0.66 MTOR (0.54) SRCABL1EGFRABL2
SCHEMBL23703131 0.66 MTOR (0.54) SRCABL1EGFRABL2
SCHEMBL25046678 0.66 ADK (0.46) RIPK2SRCABL1EGFRABL2
SCHEMBL25048704 0.64 ADK (0.45) RIPK2SRCABL1EGFRABL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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