SCHEMBL25047579

SCHEMBL25047579

COCCCCN1CCC(C2CCC(n3cc(-c4nc(Cc5ccccc5)cs4)c4c(N)nc(Cl)nc43)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.36
▸ IGF1R P08069 3/20 0.36
▸ ERBB2 P04626 2/20 0.36
▸ ABL1 P00519 4/20 0.35
▸ SRC P12931 4/20 0.35
▸ ABL2 P42684 4/20 0.35
▸ LCK P06239 2/20 0.35
▸ C1S P09871 1/20 0.32
▸ DRD2 P14416 6/20 0.31
▸ DRD4 P21917 6/20 0.31
▸ DRD3 P35462 5/20 0.31
▸ RIPK2 O43353 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ ERBB3 P21860 1/20 0.31
▸ ERBB4 Q15303 1/20 0.31
▸ HCK P08631 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ BRD4 O60885 1/20 0.30

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
SCHEMBL25048047 0.89 C1S (0.33) EGFRABL1SRCABL2LCK
SCHEMBL25048943 0.89 C1S (0.35) EGFRIGF1RABL1SRCABL2
SCHEMBL25047567 0.89 C1S (0.36) EGFRIGF1RERBB2ABL1SRC
SCHEMBL25048024 0.84 SRC (0.35) EGFRIGF1RABL1SRCABL2
SCHEMBL25048632 0.82 KCNH2 (0.34) EGFRIGF1RERBB2SRCLCK
SCHEMBL25048021 0.82 SRC (0.46) EGFRABL1SRCABL2
SCHEMBL25048727 0.80 SRC (0.35) EGFRIGF1RABL1SRCABL2
SCHEMBL25049217 0.79 C1S (0.36) EGFRIGF1RERBB2ABL1SRC
SCHEMBL25048046 0.78 PRCP (0.34) EGFRABL1SRCABL2LCK
SCHEMBL25046677 0.77 HTR2A (0.34) DRD2DRD4DRD3KCNH2SIGMAR1

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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