SCHEMBL25048774

SCHEMBL25048774

C=C/C=C\C(=C/C)C1CCC(n2cc(Br)c3c(N)ncnc32)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 4/20 0.42
▸ METTL3 Q86U44 7/20 0.41
▸ ABL1 P00519 4/20 0.40
▸ EGFR P00533 3/20 0.40
▸ ABL2 P42684 3/20 0.40
▸ ADCY5 O95622 3/20 0.39
▸ RIPK2 O43353 1/20 0.39
▸ SRC P12931 3/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ LTK P29376 1/20 0.38

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
SCHEMBL25048645 0.88 ADK (0.42) ADKABL1EGFRABL2ADCY5
SCHEMBL25047445 0.87 ABL1 (0.39) ABL1EGFRABL2ADCY5RIPK2
SCHEMBL18640804 0.75 SRC (0.59) ADKMETTL3ABL1EGFRABL2
SCHEMBL25048352 0.72 METTL3 (0.47) ADKMETTL3ABL1EGFRABL2
SCHEMBL25046609 0.72 PIP4K2A (0.35) ADCY5FGFR1
SCHEMBL16769992 0.71 ABL1 (0.63) ADKMETTL3ABL1EGFRABL2
SCHEMBL25612151 0.71 SRC (0.61) ADKABL1EGFRABL2SRC
SCHEMBL25047869 0.70 PRMT5 (0.34) ADKMETTL3ADCY5
SCHEMBL17085734 0.69 ADK (0.51) ADKMETTL3ABL1EGFRABL2
SCHEMBL25048225 0.68 SRC (0.55) ADKABL1EGFRABL2RIPK2

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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