SCHEMBL31219366

SCHEMBL31219366

COc1ccc(-c2c(C3C(C)N(C(=O)OC(C)(C)C)CCC34CC=CCC4)n(C)c3ncnc(N)c23)cn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 14/20 0.39
▸ EGFR P00533 2/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ ABL2 P42684 1/20 0.36
▸ ITK Q08881 1/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CD O00329 1/20 0.34

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
SCHEMBL31219375 0.77 SRC (0.53) SRCEGFRABL1ABL2ITK
SCHEMBL31219403 0.77 SRC (0.40) SRCEGFRABL1ABL2
SCHEMBL31219421 0.76 SRC (0.43) SRCEGFRABL1ABL2PIK3CD
SCHEMBL30582557 0.74 SRC (0.38) SRCEGFRABL1ABL2ITK
SCHEMBL26109455 0.74 SRC (0.38) SRCEGFRABL1ABL2ITK
SCHEMBL31219364 0.74 SRC (0.44) SRCEGFRABL1ABL2PIK3CD
SCHEMBL31219429 0.74 SRC (0.44) SRCEGFRABL1ABL2GPR119
SCHEMBL31219370 0.73 SRC (0.55) SRCEGFRABL1ABL2ITK
SCHEMBL31219372 0.73 SRC (0.43) SRCEGFRABL1ABL2PIK3CD
SCHEMBL31219412 0.73 SRC (0.38) SRCEGFRABL1ABL2

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-119013260-A Spirobicyclic compounds 优领医药科技(香港)有限公司 2024-11-22 — — CN disclosed
Send feedback