SCHEMBL21376143

SCHEMBL21376143

CC[S+]([O-])c1cc(-c2ccc(C(F)(F)F)cc2)sc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 8)

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
▸ KCNH2 Q12809 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ STK17B O94768 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
SCHEMBL21375974 0.92 MCHR1 (0.32) —
SCHEMBL21376198 0.85 — —
SCHEMBL21376104 0.83 — —
SCHEMBL21376106 0.82 STK17B (0.35) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL18179703 0.81 RORC (0.36) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL24286109 0.80 JAK2 (0.31) JAK2JAK1TYK2JAK3SIGMAR1
SCHEMBL18179701 0.78 PTGS1 (0.32) —
SCHEMBL24369944 0.77 POLB (0.32) —
SCHEMBL18179828 0.76 — —
SCHEMBL20043143 0.75 NPC1 (0.32) —

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-3656770-A2 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYCLES Syngenta Participations AG (CH) 2020-05-27 — — EP disclosed
EP-3286187-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 — — EP disclosed
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