SCHEMBL28881338

SCHEMBL28881338

CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3c(N)ncnc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.50
▸ EGFR P00533 3/20 0.50
▸ ABL1 P00519 2/20 0.47
▸ ABL2 P42684 2/20 0.47
▸ GPR119 Q8TDV5 4/20 0.45
▸ HCAR1 Q9BXC0 1/20 0.45
▸ RET P07949 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ CTSD P07339 1/20 0.43
▸ CTSE P14091 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PIK3CD O00329 1/20 0.42

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
SCHEMBL15156055 0.94 SRC (0.55) SRCEGFRABL1ABL2GPR119
SCHEMBL15145742 0.94 SRC (0.55) SRCEGFRABL1ABL2GPR119
SCHEMBL14798023 0.90 SRC (0.48) SRCEGFRABL1ABL2GPR119
SCHEMBL31626196 0.90 SRC (0.48) SRCEGFRABL1ABL2GPR119
SCHEMBL16321782 0.88 SRC (0.49) SRCEGFRABL1ABL2GPR119
SCHEMBL16321781 0.88 SRC (0.49) SRCEGFRABL1ABL2GPR119
SCHEMBL12596571 0.87 GPR119 (0.45) SRCEGFRGPR119HCAR1RET
SCHEMBL20480736 0.87 SRC (0.42) SRCEGFRABL1ABL2GPR119
SCHEMBL30760919 0.85 SRC (0.47) SRCEGFRABL1ABL2GPR119
SCHEMBL30760832 0.85 SRC (0.47) SRCEGFRABL1ABL2GPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304606-B Degradation agent for simultaneously targeting BTK and GSPT proteins 清华大学 2024-04-19 — — CN disclosed
CN-115304606-A Degradation agent for simultaneously targeting BTK and GSPT1 proteins 清华大学 2022-11-08 — — CN disclosed
Send feedback