SCHEMBL25047445

SCHEMBL25047445

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.39
▸ EGFR P00533 3/20 0.39
▸ ABL2 P42684 3/20 0.39
▸ RIPK2 O43353 6/20 0.38
▸ ADCY5 O95622 3/20 0.38
▸ SRC P12931 5/20 0.37
▸ RET P07949 3/20 0.37
▸ FGFR1 P11362 2/20 0.37
▸ LCK P06239 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ LTK P29376 1/20 0.37
▸ MAP2K2 P36507 1/20 0.37

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
SCHEMBL25048774 0.87 ADK (0.42) ABL1EGFRABL2RIPK2ADCY5
SCHEMBL25048645 0.77 ADK (0.42) ABL1EGFRABL2ADCY5
SCHEMBL25046609 0.71 PIP4K2A (0.35) ADCY5FGFR1FGFR4
SCHEMBL25047869 0.69 PRMT5 (0.34) ADCY5
SCHEMBL25048517 0.69 ABL1 (0.40) ABL1EGFRABL2RIPK2ADCY5
SCHEMBL25048763 0.66 ADCY5 (0.45) ABL1EGFRABL2RIPK2ADCY5
SCHEMBL25048306 0.66 ADCY5 (0.53) ABL1EGFRABL2RIPK2ADCY5
SCHEMBL25048899 0.64 ABL1 (0.45) ABL1EGFRABL2SRCLCK
SCHEMBL19264031 0.64 RIPK2 (0.48) ABL1EGFRRIPK2SRCRET
SCHEMBL24040352 0.63 HIF1A (0.51) —

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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