SCHEMBL25047770

SCHEMBL25047770

Cc1cn(C2CCC(CN)O2)c2ncnc(N(C)C(=O)OC(C)(C)C)c12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 16/20 0.33
▸ EGFR P00533 2/20 0.33
▸ ADK P55263 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ ABL2 P42684 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30

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
SCHEMBL25047763 0.78 PI4KA (0.40) ADK
SCHEMBL25949042 0.73 GPR119 (0.33) JAK3JAK2JAK1
SCHEMBL23892580 0.70 GPR119 (0.33) ADKJAK3JAK2JAK1
SCHEMBL25949197 0.70 JAK3 (0.33) JAK3
SCHEMBL18571622 0.69 ALDH1A1 (0.50) ABL1
SCHEMBL22799584 0.69 ALDH1A1 (0.50) ABL1
SCHEMBL25949326 0.69 GPR119 (0.33) ADKJAK3JAK2JAK1
SCHEMBL18571923 0.69 PDPK1 (0.40) JAK3ABL1
SCHEMBL18572228 0.69 PDPK1 (0.40) JAK3ABL1
SCHEMBL23584456 0.68 ADK (0.47) ADK

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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