SCHEMBL7060830

SCHEMBL7060830

CCc1ccc(NC(=O)Nc2csc(-c3ccncc3)n2)c(C(N)=S)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 7/20 0.53
CDK5R1 Q15078 7/20 0.53
ROCK1 Q13464 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
DYRK1A Q13627 1/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
GPR142 Q7Z601 1/20 0.39
HPGD P15428 2/20 0.39
MAP2K3 P46734 1/20 0.37
MAPK14 Q16539 1/20 0.37
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IKBKE Q14164 1/20 0.34

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
SCHEMBL5352986 0.84 CDK5 (0.56) CDK5CDK5R1ROCK1IRAK4DYRK1A
SCHEMBL5689495 0.80 CDK5 (0.65) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5348993 0.78 CDK5 (0.57) CDK5CDK5R1ROCK1IRAK4DYRK1A
SCHEMBL5341105 0.78 CDK5 (0.81) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL6633887 0.76 CDK5 (0.56) CDK5CDK5R1ROCK1IRAK4DYRK1A
SCHEMBL5337782 0.76 CDK5 (0.54) CDK5CDK5R1ROCK1IRAK4DYRK1A
SCHEMBL14558324 0.73 CDK5 (0.65) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5351920 0.73 CDK5 (0.59) CDK5CDK5R1ROCK1IRAK4DYRK1A
SCHEMBL7056328 0.73 CDK5 (0.68) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5689998 0.73 CDK5 (0.67) CDK5CDK5R1ROCK1DYRK1ACCNA2

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-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO disclosed