SCHEMBL25048490

SCHEMBL25048490

CN1CCC(c2cn([C@H]3CC[C@@H](CNCCCNCCc4ccccc4)C3)c3ncnc(N)c23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.43
▸ EGFR P00533 4/20 0.43
▸ ABL2 P42684 3/20 0.43
▸ METTL3 Q86U44 6/20 0.40
▸ PRMT5 O14744 4/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ SRC P12931 7/20 0.39
▸ PRKD3 O94806 2/20 0.39
▸ LCK P06239 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ TEK Q02763 2/20 0.39
▸ PRKCD Q05655 2/20 0.39
▸ INSR P06213 2/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ DCLK1 O15075 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ ERBB2 P04626 1/20 0.39

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
SCHEMBL25047518 0.94 ABL1 (0.44) ABL1EGFRABL2METTL3PRMT5
SCHEMBL25048002 0.91 RET (0.42) ABL1EGFRABL2SRCPRKD3
SCHEMBL25048887 0.85 METTL3 (0.49) METTL3PRMT5WDR77
SCHEMBL30941129 0.85 METTL3 (0.49) METTL3PRMT5WDR77
SCHEMBL25048005 0.82 ABL1 (0.43) ABL1EGFRABL2SRCPRKD3
SCHEMBL25047965 0.81 ABL1 (0.54) ABL1EGFRABL2SRCPRKD3
SCHEMBL25048000 0.81 METTL3 (0.44) ABL1EGFRABL2METTL3PRMT5
SCHEMBL25047988 0.79 EGFR (0.46) ABL1EGFRABL2SRCPRKD3
SCHEMBL25048162 0.79 METTL3 (0.46) ABL1EGFRABL2METTL3PRMT5
SCHEMBL25046807 0.78 METTL3 (0.52) METTL3PRMT5

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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