SCHEMBL25048551

SCHEMBL25048551

C/C=C(\C)CCNCCCNCC1CCC(n2cc(-c3ccncn3)c3c(N)ncnc32)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.43
▸ EGFR P00533 4/20 0.43
▸ ABL2 P42684 4/20 0.43
▸ RET P07949 3/20 0.42
▸ IGF1R P08069 3/20 0.41
▸ SRC P12931 5/20 0.38
▸ LCK P06239 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ PDGFRB P09619 2/20 0.38
▸ KIT P10721 2/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ INSR P06213 1/20 0.38
▸ NPM1 P06748 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ MET P08581 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ FGFR1 P11362 1/20 0.38

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
SCHEMBL25047951 0.87 ABL1 (0.57) ABL1EGFRABL2RETIGF1R
SCHEMBL25047938 0.86 METTL3 (0.44) ABL1EGFRABL2RETIGF1R
SCHEMBL25048562 0.85 ADK (0.44) ABL1EGFRABL2RETIGF1R
SCHEMBL25048552 0.84 METTL3 (0.37) ABL1EGFRABL2IGF1R
SCHEMBL25048193 0.83 ABL1 (0.42) ABL1EGFRABL2RETIGF1R
SCHEMBL25048517 0.83 ABL1 (0.40) ABL1EGFRABL2RETIGF1R
SCHEMBL25049073 0.80 ABL1 (0.41) ABL1EGFRABL2IGF1RSRC
SCHEMBL25046669 0.80 METTL3 (0.40) ABL1EGFRABL2RETIGF1R
SCHEMBL25049103 0.76 ADK (0.38) ABL1EGFRABL2IGF1R
SCHEMBL25047658 0.76 ADCY5 (0.33) ABL1EGFRABL2IGF1R

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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