SCHEMBL25048193

SCHEMBL25048193

C/C=C(\C)CCNCCCNCC1CCC(n2cc(-c3ccn(Sc4ccccc4)n3)c3c(N)ncnc32)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.42
▸ EGFR P00533 5/20 0.42
▸ ABL2 P42684 5/20 0.42
▸ SRC P12931 8/20 0.40
▸ IGF1R P08069 3/20 0.40
▸ RET P07949 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ PRKCB P05771 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ PRKCH P24723 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ PRKCI P41743 1/20 0.39
▸ PRKCE Q02156 1/20 0.39
▸ TEK Q02763 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ PRKCZ Q05513 1/20 0.39
▸ PRKCD Q05655 1/20 0.39
▸ PRKD1 Q15139 1/20 0.39

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) ABL1EGFRABL2SRCIGF1R
SCHEMBL25048551 0.83 ABL1 (0.43) ABL1EGFRABL2SRCIGF1R
SCHEMBL25048162 0.83 METTL3 (0.46) ABL1EGFRABL2SRCIGF1R
SCHEMBL25047938 0.80 METTL3 (0.44) ABL1EGFRABL2SRCIGF1R
SCHEMBL25047931 0.80 ABL1 (0.41) ABL1EGFRABL2SRCIGF1R
SCHEMBL25049073 0.80 ABL1 (0.41) ABL1EGFRABL2SRCIGF1R
SCHEMBL25048562 0.79 ADK (0.44) ABL1EGFRABL2SRCIGF1R
SCHEMBL25048517 0.79 ABL1 (0.40) ABL1EGFRABL2SRCIGF1R
SCHEMBL25048334 0.78 — —
SCHEMBL25048346 0.78 — —

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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