SCHEMBL285076

SCHEMBL285076

S=C(NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccnc2[nH]ncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.38
JAK2 O60674 2/20 0.38
ROCK2 O75116 2/20 0.38
PRKCD Q05655 2/20 0.38
ROCK1 Q13464 2/20 0.38
NUDT1 P36639 3/20 0.36
MAPK1 P28482 1/20 0.36
CCNE2 O96020 4/20 0.35
CCNE1 P24864 4/20 0.35
CDK2 P24941 4/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
LMNA P02545 1/20 0.34
CCNB2 O95067 2/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
CSF1R P07333 1/20 0.33
CHEK1 O14757 1/20 0.33

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
SCHEMBL285235 0.84 CCNE2 (0.40) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL1694708 0.70 KDM4E (0.44) JAK2ROCK2PRKCDROCK1NUDT1
SCHEMBL29705507 0.70 KDM4E (0.44) JAK2ROCK2PRKCDROCK1NUDT1
SCHEMBL9937393 0.70 PRKCQ (0.43) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL16897064 0.66 PIK3CD (0.41) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL1694892 0.66 RET (0.46) ROCK1NUDT1CCNE2CCNE1CDK2
SCHEMBL13075987 0.66 PIK3CD (0.41) PRKCQJAK2ROCK2PRKCDROCK1
SCHEMBL29499046 0.66 RET (0.46) ROCK1NUDT1CCNE2CCNE1CDK2
SCHEMBL16897010 0.66 XDH (0.42) PRKCQJAK2ROCK2PRKCDROCK1
Hydrochloric Acid SCHEMBL16897145 0.65 XDH (0.41) PRKCQJAK2ROCK2PRKCDROCK1

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-2427464-A1 PYRAZOLOPYRIDINES Vertex Pharmaceuticals Incorporated (US) 2012-03-14 EP disclosed
WO-2010129668-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-11 WO disclosed