SCHEMBL25047681

SCHEMBL25047681

CN(C)C(=O)C1CCC(n2cc3c4c(ncnc42)NCCC3)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 3/20 0.33
▸ EGFR P00533 2/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ ABL2 P42684 1/20 0.31
▸ RET P07949 2/20 0.30
▸ LCK P06239 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ IRAK4 Q9NWZ3 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
SCHEMBL25048243 0.80 PRMT5 (0.35) —
SCHEMBL30941327 0.80 PRMT5 (0.35) —
SCHEMBL25046735 0.79 ABL1 (0.31) EGFRABL1ABL2RETLCK
SCHEMBL25046681 0.76 FGR (0.33) EGFRABL1ABL2RETLCK
SCHEMBL31617907 0.76 — —
SCHEMBL25047680 0.76 — —
SCHEMBL25046659 0.74 SRC (0.44) EGFRABL1ABL2SRC
SCHEMBL25046737 0.73 ADCY5 (0.33) ADCY5EGFRABL1ABL2RET
SCHEMBL25047677 0.73 ADK (0.45) ADCY5EGFRABL1ABL2RET
SCHEMBL25048763 0.73 ADCY5 (0.45) ADCY5EGFRABL1ABL2RET

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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