SCHEMBL25048899

SCHEMBL25048899

CCc1cn([C@@H]2C[C@H](c3ccccc3)C[C@H]2O)c2ncnc(N)c12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.45
▸ EGFR P00533 4/20 0.45
▸ ABL2 P42684 4/20 0.45
▸ SRC P12931 13/20 0.43
▸ LCK P06239 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ TEK Q02763 2/20 0.43
▸ METTL3 Q86U44 2/20 0.42
▸ AHCY P23526 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ADK P55263 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
SCHEMBL25047877 0.84 AHCY (0.61) ABL1EGFRABL2METTL3AHCY
SCHEMBL31617987 0.84 AHCY (0.61) ABL1EGFRABL2METTL3AHCY
SCHEMBL25047444 0.78 AHCY (0.46) ABL1EGFRABL2SRCMETTL3
SCHEMBL24040352 0.73 HIF1A (0.51) METTL3ADK
SCHEMBL20917263 0.71 ADK (0.47) METTL3RAB9AADK
SCHEMBL20938188 0.71 ADK (0.47) METTL3RAB9AADK
SCHEMBL31618064 0.71 METTL3 (0.49) METTL3AHCY
SCHEMBL25048822 0.71 METTL3 (0.49) METTL3AHCY
SCHEMBL30941392 0.71 METTL3 (0.49) METTL3AHCY
SCHEMBL25048765 0.67 METTL3 (0.66) ABL1EGFRABL2METTL3AHCY

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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