SCHEMBL25047504

SCHEMBL25047504

CNc1ncnc2c1ccn2C1CCC(CN2CCCCC23CCN(C(=O)OC(C)(C)C)C3)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.40
▸ GPR119 Q8TDV5 3/20 0.37
▸ CNR2 P34972 3/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ CCNA2 P20248 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CDK5 Q00535 2/20 0.35
▸ CDK5R1 Q15078 2/20 0.35
▸ PRMT5 O14744 2/20 0.34
▸ WDR77 Q9BQA1 2/20 0.34
▸ SRC P12931 3/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ PIP4K2A P48426 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ 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
SCHEMBL25047907 0.96 GPR119 (0.39) JAK3GPR119CNR2CNR1NAMPT
SCHEMBL25048435 0.90 JAK3 (0.40) JAK3GPR119CNR2CNR1NAMPT
SCHEMBL25048843 0.85 GPR119 (0.39) JAK3GPR119CNR2NAMPTPRMT5
SCHEMBL25048811 0.85 GPR119 (0.40) JAK3GPR119CNR2NAMPTPRMT5
SCHEMBL23584653 0.84 PRMT5 (0.49) JAK3GPR119CNR2CNR1PRMT5
SCHEMBL23584748 0.84 GPR119 (0.40) JAK3GPR119CNR2CNR1NAMPT
SCHEMBL25047501 0.82 PRMT5 (0.35) JAK3GPR119CNR2CNR1NAMPT
SCHEMBL25047914 0.80 NAMPT (0.34) JAK3GPR119CNR2CNR1NAMPT
SCHEMBL25047503 0.79 PRMT5 (0.41) PRMT5WDR77PIP4K2A
SCHEMBL25047492 0.78 PRMT5 (0.48) PRMT5WDR77PIP4K2A

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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