SCHEMBL25048596

SCHEMBL25048596

Cc1cn(C2CCC(C3=CCN(C(=O)OC(C)(C)C)CC3)C2)c2nc(Cl)nc(Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 9/20 0.36
▸ GRM5 P41594 9/20 0.36
▸ TNK2 Q07912 1/20 0.34
▸ JAK1 P23458 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK13 Q14004 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33
▸ SRC P12931 2/20 0.32
▸ EGFR P00533 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ CCR5 P51681 1/20 0.31

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
SCHEMBL25048817 0.92 TNK2 (0.38) GRM1GRM5TNK2JAK1CDK7
SCHEMBL25048539 0.81 GPR119 (0.42) SRCEGFR
SCHEMBL25048941 0.79 SRC (0.38) TNK2SRCEGFR
SCHEMBL25048063 0.75 SRC (0.40) SRCEGFR
SCHEMBL31651865 0.74 PDK4 (0.48) GRM1GRM5TNK2JAK1CDK7
SCHEMBL25046687 0.72 SRC (0.42) SRCEGFR
SCHEMBL25048816 0.72 TNK2 (0.33) GRM1GRM5TNK2
SCHEMBL30940882 0.71 GRM5 (0.32) GRM1GRM5
SCHEMBL19243936 0.71 SRC (0.41) SRCEGFR
SCHEMBL25047547 0.70 TNK2 (0.48) GRM1GRM5TNK2JAK1CDK7

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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