SCHEMBL21187484

SCHEMBL21187484

COc1ccc(/C(C(C)=N)=C(\C)N)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ GAA P10253 3/20 0.40
▸ PRSS1 P07477 2/20 0.40
▸ PRSS2 P07478 2/20 0.40
▸ PRSS3 P35030 2/20 0.40
▸ MAPK1 P28482 3/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.36

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
SCHEMBL23850215 0.82 PRSS1 (0.50) JAK2TYK2ALDH1A1HPGDRAD52
SCHEMBL29858720 0.75 ALDH1A1 (0.66) JAK2TYK2ALDH1A1HPGDRAD52
SCHEMBL29966096 0.75 KDM4E (0.54) JAK2TYK2ALDH1A1HPGDRAD52
SCHEMBL2468448 0.75 KDM4E (0.54) JAK2TYK2ALDH1A1HPGDRAD52
SCHEMBL473972 0.73 ALDH1A1 (0.65) JAK2TYK2ALDH1A1HPGDMAPT
SCHEMBL23268318 0.73 JAK2 (0.48) JAK2TYK2ALDH1A1HPGDRAD52
SCHEMBL3340475 0.72 GAA (0.68) JAK2TYK2ALDH1A1HPGDRAD52
SCHEMBL3340478 0.72 TYK2 (0.51) JAK2TYK2ALDH1A1HPGDMAPT
SCHEMBL3340477 0.72 GAA (0.68) JAK2TYK2ALDH1A1HPGDRAD52
SCHEMBL23849918 0.71 PRSS1 (0.50) TYK2ALDH1A1HPGDRAD52GAA

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-2019141972-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 — — WO disclosed
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