SCHEMBL17901875

SCHEMBL17901875

CCSc1cc2nc(-c3ncc(C(F)(F)F)cc3S)n(C)c2cn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ AGBL2 Q5U5Z8 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ AGPAT2 O15120 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL19755915 0.89 POLB (0.37) POLBAGBL2JAK2JAK1TYK2
SCHEMBL20847335 0.84 POLB (0.36) POLB
SCHEMBL17901811 0.82 POLB (0.36) POLB
SCHEMBL20847445 0.81 POLB (0.38) POLBAGBL2JAK2JAK1TYK2
SCHEMBL17896030 0.80 POLB (0.39) POLBAGBL2
SCHEMBL20847336 0.79 — —
SCHEMBL17895805 0.78 POLB (0.36) POLBAGBL2ALDH1A1
SCHEMBL17896023 0.77 POLB (0.37) POLBAGBL2ALDH1A1KMT2A
SCHEMBL17009004 0.77 POLB (0.37) POLBKDM4EALDH1A1AGPAT2KMT2A
SCHEMBL17901855 0.77 POLB (0.33) POLBAGBL2KDM4EALDH1A1

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
WO-2016107831-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2016-07-07 — — WO disclosed
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