SCHEMBL25048063

SCHEMBL25048063

Cc1cn(C2CCC(C3=CCCN(C(=O)OC(C)(C)C)C3)C2)c2ncnc(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 15/20 0.40
▸ EGFR P00533 3/20 0.40
▸ ABL1 P00519 2/20 0.38
▸ ABL2 P42684 2/20 0.38
▸ ADK P55263 1/20 0.36
▸ PIK3CD O00329 3/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL25046683 0.90 SRC (0.49) SRCEGFRABL1ABL2
SCHEMBL19731361 0.81 SRC (0.52) SRCEGFRABL1ABL2ADK
SCHEMBL19731353 0.79 SRC (0.60) SRCEGFRABL1ABL2ADK
SCHEMBL19731371 0.79 SRC (0.49) SRCEGFRABL1ABL2ADK
SCHEMBL19731467 0.78 SRC (0.54) SRCEGFRABL1ABL2ADK
SCHEMBL25048596 0.75 GRM1 (0.36) SRCEGFR
SCHEMBL29594057 0.74 KDM4E (0.46) —
SCHEMBL10139717 0.72 SRC (0.53) SRCEGFRABL1ABL2PIK3CD
SCHEMBL25048775 0.72 ACACB (0.39) SRCADK
SCHEMBL355753 0.71 SRC (0.52) SRCEGFRABL1ABL2PIK3CD

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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