SCHEMBL30134142

SCHEMBL30134142

CC(=O)c1ccc(C(C)(C)C#N)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.38
GAA P10253 1/20 0.38
DHODH Q02127 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAOA P21397 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
BRAF P15056 2/20 0.34
CYP2C9 P11712 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ESRRG P62508 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 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
SCHEMBL308925 0.83 BRAF (0.40) DHODHNR1H4BRAFCYP2C9SCN10A
SCHEMBL26804966 0.81 NR1H4 (0.46) MAOBGAAALDH1A1MAOAHTT
SCHEMBL17276299 0.81 NPC1 (0.45) GAAALDH1A1KDM4ERXFP1L3MBTL1
SCHEMBL27775906 0.80 DHODH (0.36) DHODHL3MBTL1BRAFCYP2C9SCN10A
SCHEMBL18290646 0.80 GAA (0.45) MAOBGAAALDH1A1MAOAKDM4E
SCHEMBL1350804 0.78 GAA (0.58) MAOBGAAALDH1A1KDM4EHTT
SCHEMBL29499840 0.78 GAA (0.58) MAOBGAAALDH1A1KDM4EHTT
SCHEMBL3941531 0.77 TDP1 (0.39) DHODHALDH1A1KDM4ESMN1; SMN2EPHX2
SCHEMBL1626865 0.77 SCN10A (0.36) ALDH1A1SMN1; SMN2BRAFSCN10A
SCHEMBL12987933 0.76 AR (0.40) GAAALDH1A1ESRRGSCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 CN disclosed
EP-4380936-A1 PYRAZOLOPYRIDINONE COMPOUNDS BeiGene, Ltd. (KY) 2024-06-12 EP disclosed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN disclosed
WO-2023011456-A1 PYRAZOLOPYRIDINONE COMPOUNDS BEIGENE, LTD. (KY) 2023-02-09 WO disclosed