SCHEMBL25048517

SCHEMBL25048517

C/C=C(\C)CCNCCCNCC1CCC(n2cc(CC)c3c(N)ncnc32)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.40
▸ EGFR P00533 3/20 0.40
▸ ABL2 P42684 3/20 0.40
▸ ADCY5 O95622 5/20 0.39
▸ IGF1R P08069 4/20 0.39
▸ METTL3 Q86U44 2/20 0.37
▸ RET P07949 2/20 0.37
▸ RIPK2 O43353 3/20 0.36
▸ FLT3 P36888 2/20 0.34
▸ HCK P08631 1/20 0.34
▸ SRC P12931 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ NPM1 P06748 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ LYN P07948 1/20 0.34
▸ MET P08581 1/20 0.34
▸ PDGFRB P09619 1/20 0.34

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
SCHEMBL25047658 0.90 ADCY5 (0.33) ABL1EGFRABL2ADCY5IGF1R
SCHEMBL25047951 0.85 ABL1 (0.57) ABL1EGFRABL2IGF1RRET
SCHEMBL25046669 0.84 METTL3 (0.40) ABL1EGFRABL2ADCY5IGF1R
SCHEMBL25048771 0.84 RIPK2 (0.41) ABL1EGFRABL2ADCY5IGF1R
SCHEMBL25049119 0.83 ADCY5 (0.31) ADCY5
SCHEMBL25048551 0.83 ABL1 (0.43) ABL1EGFRABL2IGF1RRET
SCHEMBL25048562 0.83 ADK (0.44) ABL1EGFRABL2IGF1RRET
SCHEMBL25047938 0.83 METTL3 (0.44) ABL1EGFRABL2IGF1RMETTL3
SCHEMBL25048776 0.82 EGFR (0.40) ABL1EGFRABL2ADCY5IGF1R
SCHEMBL25047923 0.81 ABL1 (0.41) ABL1EGFRABL2ADCY5IGF1R

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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