SCHEMBL25046779

SCHEMBL25046779

COc1cc(OC)cc(C2CCC(n3cc(-c4ccn(Cc5ccccc5)n4)c4c(N)nc(Cl)nc43)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 4/20 0.37
▸ RET P07949 2/20 0.35
▸ CHKA P35790 2/20 0.35
▸ IGF1R P08069 6/20 0.34
▸ ABL1 P00519 3/20 0.34
▸ EGFR P00533 3/20 0.34
▸ ABL2 P42684 3/20 0.34
▸ INSR P06213 3/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ LYN P07948 2/20 0.34
▸ LCK P06239 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ AURKA O14965 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ MARK3 P27448 1/20 0.34
▸ FLT4 P35916 1/20 0.34

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
SCHEMBL25047791 0.84 CA2 (0.37) CHKAABL1EGFRABL2FGFR1
SCHEMBL25047764 0.82 ABL1 (0.40) CHKAABL1EGFRABL2LCK
SCHEMBL25048608 0.79 SRC (0.35) RIPK2RETIGF1RABL1EGFR
SCHEMBL25048420 0.77 METTL3 (0.38) RETPRMT5METTL3WDR77
SCHEMBL25046790 0.77 CHKA (0.35) RIPK2CHKAABL1EGFRABL2
SCHEMBL25047714 0.76 METTL3 (0.39) RIPK2RETIGF1RABL1EGFR
SCHEMBL25049204 0.75 METTL3 (0.39) RIPK2RETIGF1RABL1EGFR
SCHEMBL25048953 0.75 SRC (0.46) ABL1EGFRABL2SRCPRMT5
SCHEMBL25048791 0.74 IGF1R (0.33) IGF1RABL1EGFRABL2PRMT5
SCHEMBL30941349 0.72 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
Send feedback