SCHEMBL25048205

SCHEMBL25048205

C=Cc1cn(C2CCC(CNCCCNCC/C(C)=C/C)C2)c2ncnc(Cl)c12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ABL2 P42684 1/20 0.32
▸ ADCY5 O95622 4/20 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
SCHEMBL25049103 0.89 ADK (0.38) ABL1EGFRABL2ADCY5
SCHEMBL25049123 0.84 — —
SCHEMBL25047595 0.83 ABL1 (0.32) ABL1EGFRABL2ADCY5
SCHEMBL25046672 0.82 ABL1 (0.40) ABL1EGFRABL2ADCY5
SCHEMBL25048202 0.82 ADK (0.31) —
SCHEMBL25048167 0.80 ADCY5 (0.33) ABL1EGFRABL2ADCY5
SCHEMBL25047658 0.79 ADCY5 (0.33) ABL1EGFRABL2ADCY5
SCHEMBL25048517 0.79 ABL1 (0.40) ABL1EGFRABL2ADCY5
SCHEMBL25047951 0.76 ABL1 (0.57) ABL1EGFRABL2
SCHEMBL25046702 0.75 METTL3 (0.32) ADCY5

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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