SCHEMBL25048608

SCHEMBL25048608

Nc1nc(Cl)nc2c1c(-c1ccn(Cc3ccccc3)n1)cn2C1CCC(C2CCNCC2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 9/20 0.35
▸ EGFR P00533 3/20 0.35
▸ LCK P06239 3/20 0.35
▸ TEK Q02763 1/20 0.35
▸ ABL1 P00519 2/20 0.33
▸ ABL2 P42684 2/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ IGF1R P08069 4/20 0.33
▸ RET P07949 1/20 0.33
▸ PRMT5 O14744 3/20 0.32
▸ METTL3 Q86U44 3/20 0.32
▸ WDR77 Q9BQA1 2/20 0.32
▸ FGR P09769 1/20 0.32
▸ EPHA1 P21709 1/20 0.32
▸ TXK P42681 1/20 0.32
▸ FRK P42685 1/20 0.32
▸ PTK6 Q13882 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ PAK4 O96013 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
SCHEMBL25046652 0.84 AXL (0.34) PRMT5FLT3
SCHEMBL25046818 0.84 CA2 (0.36) SRCEGFRRETPRMT5METTL3
SCHEMBL25048953 0.82 SRC (0.46) SRCEGFRABL1ABL2PRMT5
SCHEMBL25048024 0.80 SRC (0.35) SRCEGFRLCKTEKABL1
SCHEMBL25046779 0.79 RIPK2 (0.37) SRCEGFRLCKTEKABL1
SCHEMBL25049204 0.78 METTL3 (0.39) SRCEGFRLCKTEKABL1
SCHEMBL25047538 0.77 PRMT5 (0.34) SRCEGFRLCKABL1ABL2
SCHEMBL25047549 0.75 METTL3 (0.34) SRCEGFRLCKTEKABL1
SCHEMBL30941349 0.75 CA2 (0.44) RETPRMT5METTL3WDR77
SCHEMBL30941448 0.75 CA2 (0.44) RETPRMT5METTL3WDR77

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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