SCHEMBL31271389

SCHEMBL31271389

CC(C)(C)OC(=O)N1C2CCC1CN(c1ncc(Br)cn1)C2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.59
▸ HDAC1 Q13547 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ HSD11B1 P28845 1/20 0.46
▸ KCNK3 O14649 1/20 0.44
▸ KCNK9 Q9NPC2 1/20 0.44
▸ JAK1 P23458 3/20 0.44
▸ ACACB O00763 4/20 0.42
▸ PREP P48147 2/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ RET P07949 1/20 0.40

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
SCHEMBL30877449 0.92 GPR119 (0.53) GPR119HDAC1CHRM2CHRM1CHRM3
SCHEMBL25309533 0.87 GPR119 (0.59) GPR119HDAC1CHRM2CHRM1CHRM3
SCHEMBL20456691 0.87 GPR119 (0.59) GPR119HDAC1CHRM2CHRM1CHRM3
SCHEMBL25310135 0.87 GPR119 (0.59) GPR119HDAC1CHRM2CHRM1CHRM3
SCHEMBL31271280 0.86 GPR119 (0.54) GPR119HDAC1CHRM2CHRM1CHRM3
SCHEMBL31271385 0.86 GPR119 (0.58) GPR119HDAC1CHRM2CHRM1CHRM3
SCHEMBL24467778 0.86 GPR119 (0.47) GPR119ACACB
SCHEMBL3579478 0.85 GPR119 (0.59) GPR119HDAC1CHRM2CHRM1CHRM3
SCHEMBL24962970 0.85 GPR119 (0.57) GPR119HDAC1CHRM2CHRM1CHRM3
SCHEMBL31270986 0.85 GPR119 (0.52) GPR119HDAC1CHRM2CHRM1CHRM3

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-2024249950-A1 FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF MENIN BIOMEA FUSION, INC. (US) 2024-12-05 — — WO disclosed
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