SCHEMBL3661410

SCHEMBL3661410

CN(C)C(=O)COc1cc(-c2ccnc(N)n2)ccc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 11/20 0.50
CDK2 P24941 3/20 0.50
GSK3B P49841 2/20 0.50
ROCK2 O75116 1/20 0.50
MAP4K4 O95819 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
CAMKK2 Q96RR4 1/20 0.43
JAK2 O60674 4/20 0.42
CCNE1 P24864 2/20 0.42
IKBKB O14920 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
PRKCB P05771 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42

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
SCHEMBL3661420 0.87 CDK2 (0.44) CDC7CDK2GSK3BROCK2MAP4K4
SCHEMBL3656027 0.84 CDC7 (0.50) CDC7CDK2GSK3BROCK2MAP4K4
SCHEMBL3723065 0.77 MKNK1 (0.49) ROCK2MKNK1MKNK2POLB
SCHEMBL14303253 0.73 POLB (0.48) POLB
SCHEMBL3664819 0.73 KMO (0.59) CDC7CDK2GSK3BROCK2MAP4K4
SCHEMBL3044785 0.70 KMO (0.55) CDK2GSK3BCLK4CCNT1CCNA2
SCHEMBL3656028 0.67 ROCK2 (0.60) CDK2ROCK2CCNT1CCNA2CDK9
SCHEMBL3713494 0.67 CDK2 (0.39) CDC7CDK2GSK3BROCK2MAP4K4
SCHEMBL18823359 0.67 MEN1 (0.56) ROCK2MAP4K4CAMKK2KMO
SCHEMBL11002248 0.66 CDC7 (0.52) CDC7CDK2GSK3BROCK2MAP4K4

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-2234618-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS The Scripps Research Institute (US) 2010-10-06 EP disclosed
WO-2009079008-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 WO disclosed