SCHEMBL25048645

SCHEMBL25048645

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

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 6/20 0.42
▸ ADCY5 O95622 3/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ ABL2 P42684 1/20 0.31

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 0.88 ADK (0.42) ADKADCY5ABL1EGFRABL2
SCHEMBL25046609 0.80 PIP4K2A (0.35) ADCY5
SCHEMBL25047445 0.77 ABL1 (0.39) ADCY5ABL1EGFRABL2
SCHEMBL18640950 0.75 ADK (0.54) ADKABL1EGFRABL2
SCHEMBL25048704 0.72 ADK (0.45) ADKABL1EGFRABL2
SCHEMBL25047835 0.70 PIP4K2A (0.32) —
SCHEMBL25047438 0.69 ADK (0.42) ADKABL1EGFRABL2
SCHEMBL29780875 0.68 ADK (0.52) ADKABL1EGFRABL2
SCHEMBL25047775 0.67 PIP4K2A (0.35) —
SCHEMBL16769692 0.66 ADK (0.50) ADKABL1

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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