SCHEMBL25047935

SCHEMBL25047935

Cc1cn([C@@H]2C[C@H](C3CCN(C(=O)OC(C)(C)C)CC3)[C@H]3OC(C)(C)O[C@H]32)c2ncnc(Cl)c12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.37
▸ EGFR P00533 3/20 0.37
▸ GPR119 Q8TDV5 9/20 0.37
▸ ADK P55263 1/20 0.36
▸ NR3C1 P04150 2/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ ABL2 P42684 2/20 0.35
▸ PIK3CD O00329 2/20 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
SCHEMBL31617972 0.87 SRC (0.39) SRCEGFRGPR119ADKABL1
SCHEMBL25047540 0.83 SRC (0.45) SRCEGFRADKABL1ABL2
SCHEMBL30941058 0.83 SRC (0.45) SRCEGFRADKABL1ABL2
SCHEMBL30940886 0.82 SRC (0.37) SRCEGFRADKABL1ABL2
SCHEMBL25049027 0.82 SRC (0.37) SRCEGFRADKABL1ABL2
SCHEMBL30941069 0.82 SRC (0.37) SRCEGFRADKABL1ABL2
SCHEMBL25046692 0.82 SRC (0.39) SRCEGFRADKABL1ABL2
SCHEMBL30941212 0.82 SRC (0.39) SRCEGFRADKABL1ABL2
SCHEMBL25048206 0.81 SRC (0.48) SRCEGFRADKABL1ABL2
SCHEMBL25046657 0.80 GPR119 (0.36) SRCEGFRGPR119ABL1ABL2

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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