SCHEMBL30718849

SCHEMBL30718849

O=Cc1cc(F)c2nc(N3CCOCC3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 9/20 0.56
▸ GAA P10253 1/20 0.49
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ ALDH3A1 P30838 1/20 0.42
▸ ALDH1A3 P47895 1/20 0.42
▸ ERN1 O75460 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ ATR Q13535 1/20 0.39
▸ ATRIP Q8WXE1 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL27143890 1.00 SHMT2 (0.56) SHMT2GAAPIK3CAPIK3CGALDH3A1
SCHEMBL27143319 0.87 SHMT2 (0.53) SHMT2GAAPIM1PIM2ATR
SCHEMBL30718760 0.87 SHMT2 (0.53) SHMT2GAAPIM1PIM2ATR
SCHEMBL31623149 0.82 SHMT2 (0.47) SHMT2GAASMN1; SMN2
SCHEMBL30718774 0.80 SHMT2 (0.56) SHMT2GAAPIM1ATRATRIP
SCHEMBL27140115 0.80 SHMT2 (0.56) SHMT2GAAPIM1ATRATRIP
SCHEMBL27138757 0.77 ALDH3A1 (0.51) GAAPIK3CAPIK3CGALDH3A1ALDH1A3
SCHEMBL31623217 0.75 KDM4E (0.39) PIK3CAPIK3CGALDH3A1ALDH1A3CNR2
SCHEMBL30718852 0.74 SHMT2 (0.39) SHMT2PIK3CACNR2
SCHEMBL27142724 0.74 SHMT2 (0.39) SHMT2PIK3CACNR2

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
EP-4547658-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF Bristol-Myers Squibb Company (US) 2025-05-07 — — EP disclosed
WO-2024006881-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 — — WO disclosed
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