SCHEMBL31258505

SCHEMBL31258505

CC1C=C(NC(=O)OC(C)(C)C)C=CN1N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.35
NFKB2 Q00653 5/20 0.35
RELA Q04206 5/20 0.35
ATR Q13535 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
CYP17A1 P05093 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL18901801 0.68 NFKB1 (0.40) NFKB1NFKB2RELAATRCYP17A1
SCHEMBL28648019 0.68 NFKB1 (0.38) NFKB1NFKB2RELACYP17A1
SCHEMBL18929421 0.66 NFKB1 (0.38) NFKB1NFKB2RELAATRLMNA
SCHEMBL12687980 0.64 CA12 (0.46) CA1CYP17A1HDAC3HDAC8NCOR2
SCHEMBL28505275 0.63 STS (0.35) ATR
SCHEMBL21206288 0.63 NFKB1 (0.35) NFKB1NFKB2RELACA1CA2
SCHEMBL22874540 0.63 NFKB1 (0.38) NFKB1NFKB2RELAAAK1CA1
SCHEMBL27991298 0.62 NFKB1 (0.42) NFKB1NFKB2RELAATRCA1
SCHEMBL28269645 0.62 NFKB1 (0.42) NFKB1NFKB2RELAATRCA1
SCHEMBL19512667 0.62 NFKB1 (0.40) NFKB1NFKB2RELAATRCA1

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-4695247-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES Syngenta Crop Protection AG (CH) 2026-02-18 EP disclosed
WO-2024213662-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-10-17 WO disclosed