SCHEMBL31413378

SCHEMBL31413378

Fc1c(Br)ccc2nc(C3CCOCC3)ncc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ OPRL1 P41146 1/20 0.34
▸ GSK3A P49840 3/20 0.32
▸ GSK3B P49841 3/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PDE10A Q9Y233 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ PIK3CB P42338 1/20 0.30
▸ PRKDC P78527 1/20 0.30
▸ ATR Q13535 1/20 0.30
▸ ATRIP Q8WXE1 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
SCHEMBL27140077 1.00 MAPK8 (0.36) MAPK8MAPK14OPRL1GSK3AGSK3B
SCHEMBL27141909 0.83 MAPK8 (0.36) MAPK8MAPK14OPRL1GSK3AGSK3B
SCHEMBL27144673 0.83 MAPK8 (0.36) MAPK8MAPK14OPRL1GSK3AGSK3B
SCHEMBL27143849 0.78 AOC3 (0.34) PIK3CAPDE10A
SCHEMBL30718842 0.78 AOC3 (0.34) PIK3CAPDE10A
SCHEMBL27320416 0.76 MAPK8 (0.36) MAPK8MAPK14PIK3CAMTOR
SCHEMBL30718808 0.73 MAPK8 (0.36) MAPK8MAPK14PIK3CAMTORPIK3CB
SCHEMBL27148304 0.73 MAPK8 (0.36) MAPK8MAPK14PIK3CAMTORPIK3CB
SCHEMBL31390098 0.69 MKNK1 (0.36) MAPK14
SCHEMBL26679829 0.69 MKNK1 (0.36) MAPK14

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-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 — — CN disclosed
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