SCHEMBL25048940

SCHEMBL25048940

CC(C)(C)OC(=O)N1CC=C([C@H]2C[C@@H](n3cc(-c4nccs4)c4c(N)nc(Cl)nc43)[C@@H]3OC(C)(C)O[C@@H]32)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.35
▸ TNK2 Q07912 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ SRC P12931 4/20 0.32
▸ EGFR P00533 2/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ EED O75530 1/20 0.31
▸ RBBP4 Q09028 1/20 0.31
▸ SUZ12 Q15022 1/20 0.31
▸ EZH2 Q15910 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ ABL1 P00519 1/20 0.30
▸ ABL2 P42684 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ FGFR4 P22455 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
SCHEMBL30941365 1.00 CNR1 (0.35) CNR1TNK2BTKSRCEGFR
SCHEMBL25048816 0.86 TNK2 (0.33) TNK2GRM5
SCHEMBL30940953 0.86 TNK2 (0.33) TNK2GRM5
SCHEMBL30941397 0.85 GPR119 (0.37) SRCEGFRGPR119ABL1ABL2
SCHEMBL25048941 0.83 SRC (0.38) CNR1TNK2BTKSRCEGFR
SCHEMBL25048595 0.80 GRM5 (0.32) GRM5
SCHEMBL30940882 0.80 GRM5 (0.32) GRM5
SCHEMBL30941177 0.80 ADK (0.33) —
SCHEMBL25048597 0.76 ADK (0.35) FGFR1FGFR4
SCHEMBL31617954 0.76 ADK (0.42) —

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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