SCHEMBL28478995

SCHEMBL28478995

O=C(O)c1nn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCOCC3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.56
GRIN2B Q13224 1/20 0.47
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL17439622 0.92 PDE4B (0.55) PDE4BGRIN2BALOX5APFEN1
SCHEMBL17439580 0.90 PDE4B (0.55) PDE4BGRIN2BALOX5APFEN1HPGD
SCHEMBL17439586 0.89 PDE4B (0.55) PDE4BGRIN2BALOX5APFEN1
SCHEMBL17447158 0.89 PDE4B (0.57) PDE4BGRIN2BALOX5APFEN1HPGD
SCHEMBL17439511 0.89 PDE4B (0.59) PDE4BGRIN2BALOX5APFEN1
SCHEMBL17439521 0.86 PDE4B (0.55) PDE4BGRIN2BALOX5APFEN1
SCHEMBL17447181 0.86 PDE4B (0.55) PDE4BGRIN2BALOX5APFEN1
SCHEMBL17447167 0.86 PDE4B (0.57) PDE4BGRIN2BALOX5APFEN1
SCHEMBL17439537 0.85 PDE4B (0.56) PDE4BGRIN2BALOX5APFEN1
SCHEMBL17439532 0.85 PDE4B (0.56) PDE4BGRIN2BALOX5APFEN1HPGD

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-106660996-B 2, 5-substituted pyrimidines as PDE4 inhibitors 格吕伦塔尔有限公司 2020-10-16 CN disclosed