SCHEMBL30808538

SCHEMBL30808538

CC(C)(C)OC(=O)N1CCCC1.NC(=O)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.55
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ABL1 P00519 1/20 0.48
▸ RIN1 Q13671 1/20 0.48
▸ HPGD P15428 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ PARP14 Q460N5 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ TBK1 Q9UHD2 1/20 0.43

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
SCHEMBL3960220 0.82 MEN1 (0.66) GPR119MEN1KMT2AABL1RIN1
SCHEMBL28492673 0.81 GPR119 (0.56) GPR119MEN1KMT2AABL1RIN1
SCHEMBL30808533 0.77 RECQL (0.45) MEN1KMT2AHPGDMAPTPOLB
SCHEMBL5237966 0.77 MAPT (0.57) GPR119MEN1KMT2AMAPT
SCHEMBL4238923 0.77 CYP3A4 (0.60) MEN1KMT2AHPGD
SCHEMBL18228469 0.77 GPR119 (0.58) GPR119KMT2AABL1RIN1HPGD
SCHEMBL6194849 0.77 GPR119 (0.64) GPR119MEN1KMT2AABL1RIN1
SCHEMBL28585097 0.76 GPR119 (0.53) GPR119MEN1KMT2AHPGDPOLB
SCHEMBL7858182 0.76 HPGD (0.68) GPR119MEN1KMT2AABL1RIN1
SCHEMBL5053 0.76 HPGD (0.68) GPR119MEN1KMT2AABL1RIN1

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
CN-111801322-B Kinase inhibitors for the treatment of central and peripheral nervous system disorders 迈阿密大学 2024-03-15 — — CN disclosed
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