SCHEMBL25048435

SCHEMBL25048435

Cc1ncnc2c1ccn2C1CCC(CN2CCCCC23CCN(C(=O)OC(C)(C)C)C3)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.40
▸ GPR119 Q8TDV5 4/20 0.38
▸ CNR2 P34972 3/20 0.37
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ SRC P12931 3/20 0.33
▸ USP7 Q93009 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ UBA6 A0AVT1 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ CYP11B2 P19099 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
SCHEMBL25047504 0.90 JAK3 (0.40) JAK3GPR119CNR2PRMT5WDR77
SCHEMBL25048843 0.87 GPR119 (0.39) JAK3GPR119CNR2PRMT5WDR77
SCHEMBL25048811 0.87 GPR119 (0.40) JAK3GPR119CNR2PRMT5WDR77
SCHEMBL23584748 0.85 GPR119 (0.40) JAK3GPR119CNR2PRMT5WDR77
SCHEMBL25047907 0.85 GPR119 (0.39) JAK3GPR119CNR2PRMT5WDR77
SCHEMBL23584653 0.85 PRMT5 (0.49) JAK3GPR119CNR2PRMT5WDR77
SCHEMBL23584786 0.79 PRMT5 (0.47) GPR119CNR2PRMT5WDR77SRC
SCHEMBL23584762 0.79 CNR2 (0.39) JAK3GPR119CNR2PRMT5CNR1
SCHEMBL25048285 0.71 MEN1 (0.41) JAK3PRMT5WDR77PIK3CACDK2
SCHEMBL23584773 0.71 PRMT5 (0.51) JAK3PRMT5WDR77

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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