SCHEMBL25047462

SCHEMBL25047462

CCc1cn(C2CCC(CNCCCNCCc3ccc(C(F)(F)F)cc3)C2)c2ncnc(N)c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 3/20 0.41
▸ EGFR P00533 3/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ ABL2 P42684 2/20 0.39
▸ ADCY5 O95622 5/20 0.38
▸ IGF1R P08069 2/20 0.36
▸ DOT1L Q8TEK3 1/20 0.36
▸ RET P07949 2/20 0.36
▸ RIPK2 O43353 2/20 0.35

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
SCHEMBL25048771 0.91 RIPK2 (0.41) METTL3EGFRABL1ABL2ADCY5
SCHEMBL25047460 0.85 METTL3 (0.48) METTL3DOT1L
SCHEMBL31618109 0.85 METTL3 (0.48) METTL3DOT1L
SCHEMBL25048776 0.83 EGFR (0.40) METTL3EGFRABL1ABL2ADCY5
SCHEMBL25048517 0.80 ABL1 (0.40) METTL3EGFRABL1ABL2ADCY5
SCHEMBL25047518 0.77 ABL1 (0.44) METTL3EGFRABL1ABL2ADCY5
SCHEMBL25047965 0.76 ABL1 (0.54) EGFRABL1ABL2IGF1RRET
SCHEMBL25048766 0.76 METTL3 (0.50) METTL3
SCHEMBL31618069 0.76 METTL3 (0.50) METTL3
SCHEMBL25048005 0.76 ABL1 (0.43) EGFRABL1ABL2ADCY5IGF1R

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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