SCHEMBL25048714

SCHEMBL25048714

Nc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1C[C@H](CNCCCNCCc2ccc(F)cc2)[C@@H](O)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.49
▸ EGFR P00533 5/20 0.49
▸ ABL2 P42684 5/20 0.49
▸ CA2 P00918 2/20 0.48
▸ SRC P12931 8/20 0.46
▸ METTL3 Q86U44 4/20 0.46
▸ ADK P55263 1/20 0.43
▸ RIPK2 O43353 2/20 0.43
▸ LCK P06239 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ TEK Q02763 1/20 0.43

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
SCHEMBL31618011 1.00 ABL1 (0.49) ABL1EGFRABL2CA2SRC
SCHEMBL25048825 0.95 CA2 (0.52) ABL1EGFRABL2CA2SRC
SCHEMBL30941348 0.95 CA2 (0.52) ABL1EGFRABL2CA2SRC
SCHEMBL30941007 0.91 CA2 (0.49) ABL1EGFRABL2CA2SRC
SCHEMBL25046809 0.91 CA2 (0.49) ABL1EGFRABL2CA2SRC
SCHEMBL25048971 0.88 CA2 (0.38) ABL1EGFRABL2CA2SRC
SCHEMBL31618086 0.87 METTL3 (0.59) CA2METTL3
SCHEMBL25047810 0.87 METTL3 (0.59) CA2METTL3
SCHEMBL25047789 0.87 METTL3 (0.58) ABL1EGFRABL2CA2SRC
SCHEMBL30940795 0.87 METTL3 (0.58) ABL1EGFRABL2CA2SRC

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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