SCHEMBL25049370

SCHEMBL25049370

CC(C)N(CCCNCCc1ccc(F)cc1)C[C@H]1C[C@@H](n2cc(-c3ccccc3)c3c(N)nc(Cl)nc32)C[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 11/20 0.35
▸ LCK P06239 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ TEK Q02763 1/20 0.35
▸ ABL1 P00519 6/20 0.35
▸ EGFR P00533 5/20 0.35
▸ ABL2 P42684 5/20 0.35
▸ PDPK1 O15530 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ IGF1R P08069 2/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ NTRK1 P04629 1/20 0.30
▸ INSR P06213 1/20 0.30
▸ NPM1 P06748 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ LYN P07948 1/20 0.30
▸ RET P07949 1/20 0.30
▸ MET P08581 1/20 0.30
▸ PDGFRB P09619 1/20 0.30
▸ KIT P10721 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
SCHEMBL25047886 0.90 ABL1 (0.35) SRCLCKKDRTEKABL1
SCHEMBL30941243 0.90 DOT1L (0.37) SRCABL1EGFRABL2CA2
SCHEMBL25047879 0.87 ABL1 (0.39) SRCLCKKDRTEKABL1
SCHEMBL25048478 0.81 METTL3 (0.35) SRCABL1EGFRABL2CA2
SCHEMBL30940989 0.81 METTL3 (0.35) SRCABL1EGFRABL2CA2
SCHEMBL30941294 0.80 METTL3 (0.34) SRCABL1EGFRABL2CA2
SCHEMBL25048971 0.78 CA2 (0.38) SRCABL1EGFRABL2CA2
SCHEMBL25048350 0.73 ADK (0.31) —
SCHEMBL25048580 0.72 PRMT5 (0.32) CA2
SCHEMBL31617971 0.71 SRC (0.32) SRCEGFR

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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