SCHEMBL25047879

SCHEMBL25047879

Nc1nc(Cl)nc2c1c(-c1ccccc1)cn2[C@@H]1C[C@H](CNCCCNCCc2ccc(F)cc2)[C@@H](O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 6/20 0.39
▸ EGFR P00533 5/20 0.39
▸ ABL2 P42684 5/20 0.39
▸ SRC P12931 13/20 0.37
▸ LCK P06239 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ TEK Q02763 1/20 0.37
▸ IGF1R P08069 3/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ NPM1 P06748 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ LYN P07948 1/20 0.34
▸ RET P07949 1/20 0.34
▸ MET P08581 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ FGFR1 P11362 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
SCHEMBL25048971 0.89 CA2 (0.38) ABL1EGFRABL2SRCLMNA
SCHEMBL25047886 0.88 ABL1 (0.35) ABL1EGFRABL2SRCLCK
SCHEMBL25049370 0.87 SRC (0.35) ABL1EGFRABL2SRCLCK
SCHEMBL30940989 0.79 METTL3 (0.35) ABL1EGFRABL2SRC
SCHEMBL25048478 0.79 METTL3 (0.35) ABL1EGFRABL2SRC
SCHEMBL30941294 0.78 METTL3 (0.34) ABL1EGFRABL2SRC
SCHEMBL25048295 0.78 PRMT5 (0.33) —
SCHEMBL30941243 0.77 DOT1L (0.37) ABL1EGFRABL2SRC
SCHEMBL25048714 0.76 ABL1 (0.49) ABL1EGFRABL2SRCLCK
SCHEMBL31618011 0.76 ABL1 (0.49) ABL1EGFRABL2SRCLCK

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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