SCHEMBL25048776

SCHEMBL25048776

CCc1cn(C2CCC(CNCCCNCCc3ccc(F)cc3F)C2)c2ncnc(N)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ ABL2 P42684 1/20 0.40
▸ IGF1R P08069 2/20 0.38
▸ RIPK2 O43353 6/20 0.38
▸ PDGFRB P09619 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ SIK1 P57059 1/20 0.37
▸ RIPK4 P57078 1/20 0.37
▸ DDR1 Q08345 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ DSTYK Q6XUX3 1/20 0.37
▸ RIPK3 Q9Y572 1/20 0.37
▸ ADCY5 O95622 5/20 0.36
▸ NEK7 Q8TDX7 3/20 0.36
▸ BTK Q06187 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ METTL3 Q86U44 1/20 0.36

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 0.90 RIPK2 (0.41) EGFRABL1ABL2IGF1RRIPK2
SCHEMBL25046820 0.85 CA2 (0.47) PRMT5METTL3
SCHEMBL31618068 0.85 CA2 (0.47) PRMT5METTL3
SCHEMBL25047462 0.83 METTL3 (0.41) EGFRABL1ABL2IGF1RRIPK2
SCHEMBL25048517 0.82 ABL1 (0.40) EGFRABL1ABL2IGF1RRIPK2
SCHEMBL31618069 0.76 METTL3 (0.50) PRMT5METTL3
SCHEMBL25048766 0.76 METTL3 (0.50) PRMT5METTL3
SCHEMBL25047780 0.75 METTL3 (0.51) PRMT5METTL3
SCHEMBL30941259 0.75 METTL3 (0.51) PRMT5METTL3
SCHEMBL25047923 0.74 ABL1 (0.41) EGFRABL1ABL2IGF1RRIPK2

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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