SCHEMBL25047540

SCHEMBL25047540

CC(C)(C)OC(=O)N1CCC([C@H]2C[C@@H](n3cc(I)c4c(N)ncnc43)[C@@H]3OC(C)(C)O[C@@H]32)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 12/20 0.45
▸ EGFR P00533 3/20 0.45
▸ ABL1 P00519 2/20 0.42
▸ ABL2 P42684 2/20 0.42
▸ MTOR P42345 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ADK P55263 4/20 0.40
▸ HASPIN Q8TF76 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37

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
SCHEMBL30941058 1.00 SRC (0.45) SRCEGFRABL1ABL2MTOR
SCHEMBL30940983 0.95 SRC (0.48) SRCEGFRABL1ABL2MTOR
SCHEMBL30941051 0.91 SRC (0.45) SRCEGFRABL1ABL2MTOR
SCHEMBL25047606 0.91 SRC (0.45) SRCEGFRABL1ABL2MTOR
SCHEMBL30941028 0.90 SRC (0.47) SRCEGFRABL1ABL2MTOR
SCHEMBL30940730 0.88 GPR119 (0.34) SRCEGFR
SCHEMBL25048945 0.88 GPR119 (0.34) SRCEGFR
SCHEMBL31617972 0.86 SRC (0.39) SRCEGFRABL1ABL2ADK
SCHEMBL25047935 0.83 SRC (0.37) SRCEGFRABL1ABL2ADK
SCHEMBL25048948 0.83 GPR119 (0.35) RAB9A

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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