SCHEMBL23956608

SCHEMBL23956608

CC[S+]([O-])c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn2cc(C(N)=O)ccc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 0.36
▸ JAK1 P23458 12/20 0.36
▸ TYK2 P29597 12/20 0.36
▸ JAK3 P52333 12/20 0.36
▸ STING1 Q86WV6 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ AR P10275 1/20 0.31
▸ HSP90AA1 P07900 2/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ KIF11 P52732 1/20 0.30
▸ RORC P51449 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
SCHEMBL23956582 0.85 LMNA (0.30) —
SCHEMBL21264906 0.83 JAK2 (0.37) JAK2JAK1TYK2JAK3STING1
SCHEMBL23956666 0.83 S1PR1 (0.36) —
SCHEMBL23956636 0.83 CARM1 (0.32) —
SCHEMBL23956588 0.82 OPRM1 (0.31) —
SCHEMBL23956637 0.74 POLB (0.33) KMT2A
SCHEMBL30423852 0.73 JAK2 (0.39) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL21750109 0.73 JAK2 (0.39) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL24286075 0.72 MEN1 (0.32) KMT2A
SCHEMBL24044908 0.72 — —

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
EP-3515921-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-10-27 — — EP disclosed
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