SCHEMBL24286109

SCHEMBL24286109

CC[S+]([O-])c1cc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ TDP2 O95551 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
SCHEMBL24369944 0.83 POLB (0.32) —
SCHEMBL24285903 0.82 JAK2 (0.32) JAK2JAK1TYK2JAK3SIGMAR1
SCHEMBL29679717 0.81 NR1H2 (0.36) JAK2JAK1TYK2JAK3
SCHEMBL17949384 0.81 NR1H2 (0.36) JAK2JAK1TYK2JAK3
SCHEMBL21376143 0.80 JAK2 (0.31) JAK2JAK1TYK2JAK3SIGMAR1
SCHEMBL24286075 0.79 MEN1 (0.32) —
SCHEMBL24286076 0.79 TP53 (0.33) —
SCHEMBL17697064 0.78 PTGS2 (0.35) —
SCHEMBL22683338 0.78 — —
SCHEMBL22201081 0.78 — —

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-3247712-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-04-20 — — EP disclosed
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